4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]piperidine-1-carboxamide

C21H30N6O3 — CID 23656752

IUPAC4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]piperidine-1-carboxamide
SMILESCC(C)C1CC[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)C(=O)NC1
InChIInChI=1S/C21H30N6O3/c1-13(2)14-5-6-16(19(28)23-12-14)24-20(29)26-10-7-15(8-11-26)27-17-4-3-9-22-18(17)25-21(27)30/h3-4,9,13-16H,5-8,10-12H2,1-2H3,(H,23,28)(H,24,29)(H,22,25,30)/t14?,16-/m1/s1
InChIKeyVEHSPEHQVKZXJV-BZSJEYESSA-N
MW414.51 g/mol
LogP1.62
Rot. Bonds3

About 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]piperidine-1-carboxamide

4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]piperidine-1-carboxamide (PubChem CID 23656752) has the molecular formula C21H30N6O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]piperidine-1-carboxamide
PubChem CID23656752
Molecular FormulaC21H30N6O3
Molecular Weight414.51 g/mol
Exact Mass414.24
IUPAC Name4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]piperidine-1-carboxamide
SMILESCC(C)C1CC[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)C(=O)NC1
InChIInChI=1S/C21H30N6O3/c1-13(2)14-5-6-16(19(28)23-12-14)24-20(29)26-10-7-15(8-11-26)27-17-4-3-9-22-18(17)25-21(27)30/h3-4,9,13-16H,5-8,10-12H2,1-2H3,(H,23,28)(H,24,29)(H,22,25,30)/t14?,16-/m1/s1
InChIKeyVEHSPEHQVKZXJV-BZSJEYESSA-N
XLogP1.62
TPSA112.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]piperidine-1-carboxamide (CID 23656752) is 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]piperidine-1-carboxamide is CC(C)C1CC[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)C(=O)NC1.
What is the InChIKey of 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]piperidine-1-carboxamide?
The InChIKey is VEHSPEHQVKZXJV-BZSJEYESSA-N. The full InChI is InChI=1S/C21H30N6O3/c1-13(2)14-5-6-16(19(28)23-12-14)24-20(29)26-10-7-15(8-11-26)27-17-4-3-9-22-18(17)25-21(27)30/h3-4,9,13-16H,5-8,10-12H2,1-2H3,(H,23,28)(H,24,29)(H,22,25,30)/t14?,16-/m1/s1.
What are the key properties of 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]piperidine-1-carboxamide?
4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]piperidine-1-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 23656752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).