N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide

C19H19N5O2 — CID 99791327

IUPACN-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
SMILESC[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCc2nc3ncccc3[nH]2)cc1
InChIInChI=1S/C19H19N5O2/c1-11-9-14(11)19(26)22-13-6-4-12(5-7-13)18(25)21-10-16-23-15-3-2-8-20-17(15)24-16/h2-8,11,14H,9-10H2,1H3,(H,21,25)(H,22,26)(H,20,23,24)/t11-,14+/m0/s1
InChIKeyVEBLQTCQJUETJI-SMDDNHRTSA-N
MW349.39 g/mol
LogP2.48
Rot. Bonds5

About N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide

N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide (PubChem CID 99791327) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide.

Molecular Properties

Compound NameN-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
PubChem CID99791327
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
SMILESC[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCc2nc3ncccc3[nH]2)cc1
InChIInChI=1S/C19H19N5O2/c1-11-9-14(11)19(26)22-13-6-4-12(5-7-13)18(25)21-10-16-23-15-3-2-8-20-17(15)24-16/h2-8,11,14H,9-10H2,1H3,(H,21,25)(H,22,26)(H,20,23,24)/t11-,14+/m0/s1
InChIKeyVEBLQTCQJUETJI-SMDDNHRTSA-N
XLogP2.48
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide with MolForge

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Related Compounds

N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1H-indole-6-carboxamide
CID 99840834
(3S,4S)-1-benzyl-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-methylpyrrolidine-3-carboxamide
CID 128987078
N-[(3,5-dimethoxyphenyl)methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46439035
N-(2-methoxyethyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46430343
4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide
CID 50995509
N-(3-methoxypropyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46437430
2-chloro-3-fluoro-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide
CID 99802237
N-[(2-ethoxy-3-pyridinyl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55651098
N-(1H-indazol-7-yl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46430877
trans-(1S,2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 40820911
N-[1-(ethylcarbamoyl)cyclohexyl]-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 52512489
N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136535072

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide?
The IUPAC name of N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide (CID 99791327) is N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide.
What is the SMILES notation for N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide?
The canonical SMILES for N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide is C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCc2nc3ncccc3[nH]2)cc1.
What is the InChIKey of N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide?
The InChIKey is VEBLQTCQJUETJI-SMDDNHRTSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-11-9-14(11)19(26)22-13-6-4-12(5-7-13)18(25)21-10-16-23-15-3-2-8-20-17(15)24-16/h2-8,11,14H,9-10H2,1H3,(H,21,25)(H,22,26)(H,20,23,24)/t11-,14+/m0/s1.
What are the key properties of N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide?
N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide has a molecular weight of 349.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide is sourced from PubChem (CID 99791327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).