N-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine-6-carboxamide

C28H28N4O2 — CID 141248187

IUPACN-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine-6-carboxamide
SMILESCc1ccc(-c2ccccc2)c(C(=O)N2CCC[C@@H](NC(=O)c3cnc4cc[nH]c4c3)C2)c1C
InChIInChI=1S/C28H28N4O2/c1-18-10-11-23(20-7-4-3-5-8-20)26(19(18)2)28(34)32-14-6-9-22(17-32)31-27(33)21-15-25-24(30-16-21)12-13-29-25/h3-5,7-8,10-13,15-16,22,29H,6,9,14,17H2,1-2H3,(H,31,33)/t22-/m1/s1
InChIKeyCYSSARMVHMFDIA-JOCHJYFZSA-N
MW452.56 g/mol
LogP4.88
Rot. Bonds4

About N-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine-6-carboxamide

N-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine-6-carboxamide (PubChem CID 141248187) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine-6-carboxamide
PubChem CID141248187
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC NameN-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine-6-carboxamide
SMILESCc1ccc(-c2ccccc2)c(C(=O)N2CCC[C@@H](NC(=O)c3cnc4cc[nH]c4c3)C2)c1C
InChIInChI=1S/C28H28N4O2/c1-18-10-11-23(20-7-4-3-5-8-20)26(19(18)2)28(34)32-14-6-9-22(17-32)31-27(33)21-15-25-24(30-16-21)12-13-29-25/h3-5,7-8,10-13,15-16,22,29H,6,9,14,17H2,1-2H3,(H,31,33)/t22-/m1/s1
InChIKeyCYSSARMVHMFDIA-JOCHJYFZSA-N
XLogP4.88
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine-6-carboxamide with MolForge

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Related Compounds

N-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1-methylindole-3-carboxamide
CID 141248188
(2,3-dimethyl-6-phenylphenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 67178862
N-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 59294620
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-1H-indole-5-carboxamide
CID 91887791
[(3S)-3-anilinopiperidin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone
CID 95717428
tert-butyl 3-[(3-phenylbenzoyl)amino]piperidine-1-carboxylate
CID 122598194
N-[(3S)-1-(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)piperidin-3-yl]butanamide
CID 96529433
N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide
CID 95276174
N-[(3R)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide
CID 95276175
2-amino-N-[(3R)-1-(3-methyl-4-phenylbenzoyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142326268
3-fluoro-4-methyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 99740769
N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-dimethylimidazole-4-carboxamide
CID 125166283

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine-6-carboxamide?
The IUPAC name of N-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine-6-carboxamide (CID 141248187) is N-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for N-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine-6-carboxamide is Cc1ccc(-c2ccccc2)c(C(=O)N2CCC[C@@H](NC(=O)c3cnc4cc[nH]c4c3)C2)c1C.
What is the InChIKey of N-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine-6-carboxamide?
The InChIKey is CYSSARMVHMFDIA-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-18-10-11-23(20-7-4-3-5-8-20)26(19(18)2)28(34)32-14-6-9-22(17-32)31-27(33)21-15-25-24(30-16-21)12-13-29-25/h3-5,7-8,10-13,15-16,22,29H,6,9,14,17H2,1-2H3,(H,31,33)/t22-/m1/s1.
What are the key properties of N-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine-6-carboxamide?
N-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine-6-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 141248187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).