N-butyl-2,4-dichloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentyl-3-(trifluoromethyl)benzamide;2,4-dichloro-N-[(3-cyclopentyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-fluoro-4-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide — IUPAC name, SMILES, InChIKey & properties

Name: N-butyl-2,4-dichloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentyl-3-(trifluoromethyl)benzamide;2,4-dichloro-N-[(3-cyclopentyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-fluoro-4-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About N-butyl-2,4-dichloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentyl-3-(trifluoromethyl)benzamide;2,4-dichloro-N-[(3-cyclopentyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-fluoro-4-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

N-butyl-2,4-dichloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentyl-3-(trifluoromethyl)benzamide;2,4-dichloro-N-[(3-cyclopentyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-fluoro-4-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (PubChem CID 159406274) has the molecular formula C90H105Cl4F4N16O4+ and a molecular weight of 1692.74 g/mol. Its IUPAC name is N-butyl-2,4-dichloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentyl-3-(trifluoromethyl)benzamide;2,4-dichloro-N-[(3-cyclopentyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-fluoro-4-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name	N-butyl-2,4-dichloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentyl-3-(trifluoromethyl)benzamide;2,4-dichloro-N-[(3-cyclopentyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-fluoro-4-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
PubChem CID	159406274
Molecular Formula	C90H105Cl4F4N16O4+
Molecular Weight	1692.74 g/mol
Exact Mass	1689.72
IUPAC Name	N-butyl-2,4-dichloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentyl-3-(trifluoromethyl)benzamide;2,4-dichloro-N-[(3-cyclopentyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-fluoro-4-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
SMILES	CC(C)CN(Cc1[nH]c2cccnc2[n+]1C1CCCC1)C(=O)c1ccc(Cl)cc1Cl.CCCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(C(F)(F)F)c1.CCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccc(Cl)cc1Cl.CCCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccc(C)c(F)c1
InChI	InChI=1S/C25H29F3N4O.C23H26Cl2N4O.C21H24Cl2N4O.C21H25FN4O/c1-2-3-6-15-31(24(33)18-9-7-10-19(16-18)25(26,27)28)17-22-30-21-13-8-14-29-23(21)32(22)20-11-4-5-12-20;1-15(2)13-28(23(30)18-10-9-16(24)12-19(18)25)14-21-27-20-8-5-11-26-22(20)29(21)17-6-3-4-7-17;1-3-5-12-26(21(28)16-9-8-15(22)13-17(16)23)14-19-25-18-7-6-10-24-20(18)27(19)11-4-2;1-4-11-25(21(27)16-9-8-15(3)17(22)13-16)14-19-24-18-7-6-10-23-20(18)26(19)12-5-2/h7-10,13-14,16,20H,2-6,11-12,15,17H2,1H3;5,8-12,15,17H,3-4,6-7,13-14H2,1-2H3;6-10,13H,3-5,11-12,14H2,1-2H3;6-10,13H,4-5,11-12,14H2,1-3H3/p+1
InChIKey	QMQRMOCVXUGSIP-UHFFFAOYSA-O
XLogP	21.90
TPSA	205.93 Å²
H-Bond Donors	1
H-Bond Acceptors	14
Rotatable Bonds	29
Heavy Atoms	118
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1692.74
LogP ≤ 5	21.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-butyl-2,4-dichloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentyl-3-(trifluoromethyl)benzamide;2,4-dichloro-N-[(3-cyclopentyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-fluoro-4-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2,4-dichloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentyl-3-(trifluoromethyl)benzamide;2,4-dichloro-N-[(3-cyclopentyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-fluoro-4-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The IUPAC name of N-butyl-2,4-dichloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentyl-3-(trifluoromethyl)benzamide;2,4-dichloro-N-[(3-cyclopentyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-fluoro-4-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (CID 159406274) is N-butyl-2,4-dichloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentyl-3-(trifluoromethyl)benzamide;2,4-dichloro-N-[(3-cyclopentyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-fluoro-4-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

What is the SMILES notation for N-butyl-2,4-dichloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentyl-3-(trifluoromethyl)benzamide;2,4-dichloro-N-[(3-cyclopentyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-fluoro-4-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The canonical SMILES for N-butyl-2,4-dichloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentyl-3-(trifluoromethyl)benzamide;2,4-dichloro-N-[(3-cyclopentyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-fluoro-4-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is CC(C)CN(Cc1[nH]c2cccnc2[n+]1C1CCCC1)C(=O)c1ccc(Cl)cc1Cl.CCCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(C(F)(F)F)c1.CCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccc(Cl)cc1Cl.CCCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccc(C)c(F)c1.

What is the InChIKey of N-butyl-2,4-dichloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentyl-3-(trifluoromethyl)benzamide;2,4-dichloro-N-[(3-cyclopentyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-fluoro-4-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The InChIKey is QMQRMOCVXUGSIP-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H29F3N4O.C23H26Cl2N4O.C21H24Cl2N4O.C21H25FN4O/c1-2-3-6-15-31(24(33)18-9-7-10-19(16-18)25(26,27)28)17-22-30-21-13-8-14-29-23(21)32(22)20-11-4-5-12-20;1-15(2)13-28(23(30)18-10-9-16(24)12-19(18)25)14-21-27-20-8-5-11-26-22(20)29(21)17-6-3-4-7-17;1-3-5-12-26(21(28)16-9-8-15(22)13-17(16)23)14-19-25-18-7-6-10-24-20(18)27(19)11-4-2;1-4-11-25(21(27)16-9-8-15(3)17(22)13-16)14-19-24-18-7-6-10-23-20(18)26(19)12-5-2/h7-10,13-14,16,20H,2-6,11-12,15,17H2,1H3;5,8-12,15,17H,3-4,6-7,13-14H2,1-2H3;6-10,13H,3-5,11-12,14H2,1-2H3;6-10,13H,4-5,11-12,14H2,1-3H3/p+1.

What are the key properties of N-butyl-2,4-dichloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentyl-3-(trifluoromethyl)benzamide;2,4-dichloro-N-[(3-cyclopentyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-fluoro-4-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

Where does this data come from?

All data for N-butyl-2,4-dichloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentyl-3-(trifluoromethyl)benzamide;2,4-dichloro-N-[(3-cyclopentyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-fluoro-4-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 159406274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).