N-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)benzamide

C23H30N6O — CID 53148940

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)benzamide
SMILESCC(C)n1c(-c2cccc(C(=O)NCCN3CCN(C)CC3)c2)nc2cccnc21
InChIInChI=1S/C23H30N6O/c1-17(2)29-21(26-20-8-5-9-24-22(20)29)18-6-4-7-19(16-18)23(30)25-10-11-28-14-12-27(3)13-15-28/h4-9,16-17H,10-15H2,1-3H3,(H,25,30)
InChIKeyNFNODVCVBPEVRS-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.66
Rot. Bonds6

About N-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)benzamide

N-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)benzamide (PubChem CID 53148940) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)benzamide
PubChem CID53148940
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)benzamide
SMILESCC(C)n1c(-c2cccc(C(=O)NCCN3CCN(C)CC3)c2)nc2cccnc21
InChIInChI=1S/C23H30N6O/c1-17(2)29-21(26-20-8-5-9-24-22(20)29)18-6-4-7-19(16-18)23(30)25-10-11-28-14-12-27(3)13-15-28/h4-9,16-17H,10-15H2,1-3H3,(H,25,30)
InChIKeyNFNODVCVBPEVRS-UHFFFAOYSA-N
XLogP2.66
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 46277271
3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 53148873
3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-[(3-methylphenyl)methyl]benzamide
CID 53148817
3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 54861059
N-(2-morpholin-4-ylethyl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 20916111
(4-propan-2-ylpiperazin-1-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone
CID 53149033
3-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95097052
N-[(5-methylfuran-2-yl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide
CID 53149037
[4-(2-methylpropyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone
CID 53149042
5-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)benzene-1,3-diol
CID 107704572
2-(aminomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-4-carboxamide
CID 114325905
N-[(1R)-1-phenylethyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide
CID 95097061

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)benzamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)benzamide (CID 53148940) is N-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)benzamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)benzamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)benzamide is CC(C)n1c(-c2cccc(C(=O)NCCN3CCN(C)CC3)c2)nc2cccnc21.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)benzamide?
The InChIKey is NFNODVCVBPEVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-17(2)29-21(26-20-8-5-9-24-22(20)29)18-6-4-7-19(16-18)23(30)25-10-11-28-14-12-27(3)13-15-28/h4-9,16-17H,10-15H2,1-3H3,(H,25,30).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)benzamide?
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)benzamide has a molecular weight of 406.53 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)benzamide is sourced from PubChem (CID 53148940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).