3-methyl-N-[3-(pyridin-3-ylamino)propyl]imidazo[1,2-a]pyridine-2-carboxamide

C17H19N5O — CID 154571393

IUPAC3-methyl-N-[3-(pyridin-3-ylamino)propyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1c(C(=O)NCCCNc2cccnc2)nc2ccccn12
InChIInChI=1S/C17H19N5O/c1-13-16(21-15-7-2-3-11-22(13)15)17(23)20-10-5-9-19-14-6-4-8-18-12-14/h2-4,6-8,11-12,19H,5,9-10H2,1H3,(H,20,23)
InChIKeyXFQYLKHNODJQEH-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.27
Rot. Bonds6

About 3-methyl-N-[3-(pyridin-3-ylamino)propyl]imidazo[1,2-a]pyridine-2-carboxamide

3-methyl-N-[3-(pyridin-3-ylamino)propyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 154571393) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-methyl-N-[3-(pyridin-3-ylamino)propyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(pyridin-3-ylamino)propyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID154571393
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name3-methyl-N-[3-(pyridin-3-ylamino)propyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1c(C(=O)NCCCNc2cccnc2)nc2ccccn12
InChIInChI=1S/C17H19N5O/c1-13-16(21-15-7-2-3-11-22(13)15)17(23)20-10-5-9-19-14-6-4-8-18-12-14/h2-4,6-8,11-12,19H,5,9-10H2,1H3,(H,20,23)
InChIKeyXFQYLKHNODJQEH-UHFFFAOYSA-N
XLogP2.27
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-1-propyl-N-[3-(pyridin-3-ylamino)propyl]pyrazole-4-carboxamide
CID 72864277
1-(3-methylimidazo[1,2-a]pyridin-2-yl)ethanone
CID 84654901
2-amino-1-(3-methylimidazo[1,2-a]pyridin-2-yl)ethanone
CID 84661951
3-methyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 154565546
3-(4-fluorophenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 87051675
1-methyl-N-[3-(pyridin-3-ylamino)propyl]azepane-2-carboxamide
CID 72889342
5-methyl-N-[2-(pyridin-3-ylamino)ethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 67959049
tert-butyl N-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
CID 175381261
1-N-butyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067153
3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 87051619
[(3aS,6aS)-5-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 131696950
N-(3-methoxypropyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 84565197

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(pyridin-3-ylamino)propyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 3-methyl-N-[3-(pyridin-3-ylamino)propyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 154571393) is 3-methyl-N-[3-(pyridin-3-ylamino)propyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(pyridin-3-ylamino)propyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(pyridin-3-ylamino)propyl]imidazo[1,2-a]pyridine-2-carboxamide is Cc1c(C(=O)NCCCNc2cccnc2)nc2ccccn12.
What is the InChIKey of 3-methyl-N-[3-(pyridin-3-ylamino)propyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is XFQYLKHNODJQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-13-16(21-15-7-2-3-11-22(13)15)17(23)20-10-5-9-19-14-6-4-8-18-12-14/h2-4,6-8,11-12,19H,5,9-10H2,1H3,(H,20,23).
What are the key properties of 3-methyl-N-[3-(pyridin-3-ylamino)propyl]imidazo[1,2-a]pyridine-2-carboxamide?
3-methyl-N-[3-(pyridin-3-ylamino)propyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(pyridin-3-ylamino)propyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 154571393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).