2-(cyclopropylmethyl)-N-[(3S)-piperidin-3-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide

C16H21N5O — CID 70304610

IUPAC2-(cyclopropylmethyl)-N-[(3S)-piperidin-3-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESO=C(N[C@H]1CCCNC1)c1ccnc2nc(CC3CC3)[nH]c12
InChIInChI=1S/C16H21N5O/c22-16(19-11-2-1-6-17-9-11)12-5-7-18-15-14(12)20-13(21-15)8-10-3-4-10/h5,7,10-11,17H,1-4,6,8-9H2,(H,19,22)(H,18,20,21)/t11-/m0/s1
InChIKeyUSOMSUNDSILEED-NSHDSACASA-N
MW299.38 g/mol
LogP1.39
Rot. Bonds4

About 2-(cyclopropylmethyl)-N-[(3S)-piperidin-3-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide

2-(cyclopropylmethyl)-N-[(3S)-piperidin-3-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide (PubChem CID 70304610) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-N-[(3S)-piperidin-3-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-N-[(3S)-piperidin-3-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
PubChem CID70304610
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-(cyclopropylmethyl)-N-[(3S)-piperidin-3-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESO=C(N[C@H]1CCCNC1)c1ccnc2nc(CC3CC3)[nH]c12
InChIInChI=1S/C16H21N5O/c22-16(19-11-2-1-6-17-9-11)12-5-7-18-15-14(12)20-13(21-15)8-10-3-4-10/h5,7,10-11,17H,1-4,6,8-9H2,(H,19,22)(H,18,20,21)/t11-/m0/s1
InChIKeyUSOMSUNDSILEED-NSHDSACASA-N
XLogP1.39
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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[3-(4-amino-6-methylimidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl]-[1-[[1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl]methyl]pyrrol-3-yl]methanone
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CID 463563
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2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11483024
2-{2-[(2-methylpropyl)amino]pyrimidin-4-yl}-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11483025
2-{1H-pyrrolo[2,3-b]pyridin-4-yl}-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11557879
2-Cyclopropyl-N-[(2r)-1-Oxo-1-(Piperidin-1-Yl)propan-2-Yl]-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-N-[(3S)-piperidin-3-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of 2-(cyclopropylmethyl)-N-[(3S)-piperidin-3-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide (CID 70304610) is 2-(cyclopropylmethyl)-N-[(3S)-piperidin-3-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethyl)-N-[(3S)-piperidin-3-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for 2-(cyclopropylmethyl)-N-[(3S)-piperidin-3-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide is O=C(N[C@H]1CCCNC1)c1ccnc2nc(CC3CC3)[nH]c12.
What is the InChIKey of 2-(cyclopropylmethyl)-N-[(3S)-piperidin-3-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The InChIKey is USOMSUNDSILEED-NSHDSACASA-N. The full InChI is InChI=1S/C16H21N5O/c22-16(19-11-2-1-6-17-9-11)12-5-7-18-15-14(12)20-13(21-15)8-10-3-4-10/h5,7,10-11,17H,1-4,6,8-9H2,(H,19,22)(H,18,20,21)/t11-/m0/s1.
What are the key properties of 2-(cyclopropylmethyl)-N-[(3S)-piperidin-3-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
2-(cyclopropylmethyl)-N-[(3S)-piperidin-3-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-N-[(3S)-piperidin-3-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 70304610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).