2-[(2-chlorophenyl)methylamino]-1-[(2S)-2-hydroxypropyl]imidazo[4,5-b]pyridine-5-carboxamide

C17H18ClN5O2 — CID 46879659

IUPAC2-[(2-chlorophenyl)methylamino]-1-[(2S)-2-hydroxypropyl]imidazo[4,5-b]pyridine-5-carboxamide
SMILESC[C@H](O)Cn1c(NCc2ccccc2Cl)nc2nc(C(N)=O)ccc21
InChIInChI=1S/C17H18ClN5O2/c1-10(24)9-23-14-7-6-13(15(19)25)21-16(14)22-17(23)20-8-11-4-2-3-5-12(11)18/h2-7,10,24H,8-9H2,1H3,(H2,19,25)(H,20,21,22)/t10-/m0/s1
InChIKeyFKNFYPIAOYTWBT-JTQLQIEISA-N
MW359.82 g/mol
LogP2.18
Rot. Bonds6

About 2-[(2-chlorophenyl)methylamino]-1-[(2S)-2-hydroxypropyl]imidazo[4,5-b]pyridine-5-carboxamide

2-[(2-chlorophenyl)methylamino]-1-[(2S)-2-hydroxypropyl]imidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 46879659) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-1-[(2S)-2-hydroxypropyl]imidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-1-[(2S)-2-hydroxypropyl]imidazo[4,5-b]pyridine-5-carboxamide
PubChem CID46879659
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC Name2-[(2-chlorophenyl)methylamino]-1-[(2S)-2-hydroxypropyl]imidazo[4,5-b]pyridine-5-carboxamide
SMILESC[C@H](O)Cn1c(NCc2ccccc2Cl)nc2nc(C(N)=O)ccc21
InChIInChI=1S/C17H18ClN5O2/c1-10(24)9-23-14-7-6-13(15(19)25)21-16(14)22-17(23)20-8-11-4-2-3-5-12(11)18/h2-7,10,24H,8-9H2,1H3,(H2,19,25)(H,20,21,22)/t10-/m0/s1
InChIKeyFKNFYPIAOYTWBT-JTQLQIEISA-N
XLogP2.18
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-Chloranyl-1-Methyl-2-[4-(4-Methylpiperazin-1-Yl)phenyl]pyrrolo[2,3-B]pyridine-6-Carboxamide
CID 129012056
3,4-dichloro-2-(4-hydroxypent-1-ynyl)-1-[(3S)-piperidin-3-yl]pyrrolo[2,3-b]pyridine-6-carboxamide
CID 155567360
3,4-dichloro-2-(3-hydroxybut-1-ynyl)-1-[(3S)-piperidin-3-yl]pyrrolo[2,3-b]pyridine-6-carboxamide
CID 155569485
4-Chloro-1,3-dimethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridine-6-carboxamide
CID 137646513
2-[(2-Chlorophenyl)methylamino]-1-(3-hydroxy-2,2-dimethylpropyl)imidazo[4,5-b]pyridine-5-carboxamide
CID 45375880
(R)-2-(2-chlorobenzylamino)-1-(2,3-dihydro-1H-inden-1-yl)-1H-imidazo[4,5-b]pyridine-5-carboxamide
CID 46238368
2-[(2-Chlorophenyl)methylamino]-1-(cyclohexylmethyl)imidazo[4,5-b]pyridine-5-carboxamide
CID 46879570
2-[(2-Chlorophenyl)methylamino]-1-cyclohexylimidazo[4,5-b]pyridine-5-carboxamide
CID 46879571
1-Benzyl-2-[(2-chlorophenyl)methylamino]imidazo[4,5-b]pyridine-5-carboxamide
CID 46879573
2-[(2-Chlorophenyl)methylamino]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]imidazo[4,5-b]pyridine-5-carboxamide
CID 46879658
2-[(2-Chlorophenyl)methylamino]-1-(3-hydroxypropyl)imidazo[4,5-b]pyridine-5-carboxamide
CID 46879660
2-[(2-chlorophenyl)methylamino]-1-[(3S)-3,4-dihydroxybutyl]benzimidazole-5-carboxamide
CID 46880230

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-1-[(2S)-2-hydroxypropyl]imidazo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-1-[(2S)-2-hydroxypropyl]imidazo[4,5-b]pyridine-5-carboxamide (CID 46879659) is 2-[(2-chlorophenyl)methylamino]-1-[(2S)-2-hydroxypropyl]imidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-1-[(2S)-2-hydroxypropyl]imidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-1-[(2S)-2-hydroxypropyl]imidazo[4,5-b]pyridine-5-carboxamide is C[C@H](O)Cn1c(NCc2ccccc2Cl)nc2nc(C(N)=O)ccc21.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-1-[(2S)-2-hydroxypropyl]imidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is FKNFYPIAOYTWBT-JTQLQIEISA-N. The full InChI is InChI=1S/C17H18ClN5O2/c1-10(24)9-23-14-7-6-13(15(19)25)21-16(14)22-17(23)20-8-11-4-2-3-5-12(11)18/h2-7,10,24H,8-9H2,1H3,(H2,19,25)(H,20,21,22)/t10-/m0/s1.
What are the key properties of 2-[(2-chlorophenyl)methylamino]-1-[(2S)-2-hydroxypropyl]imidazo[4,5-b]pyridine-5-carboxamide?
2-[(2-chlorophenyl)methylamino]-1-[(2S)-2-hydroxypropyl]imidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 359.82 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-1-[(2S)-2-hydroxypropyl]imidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 46879659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).