(2R)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpyrrolidine-1-carboxamide

C23H26N6O2 — CID 134800639

IUPAC(2R)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpyrrolidine-1-carboxamide
SMILESO=C([C@H]1CCCN1C(=O)Nc1ccccc1)N1CCCC(c2nc3ccncc3[nH]2)C1
InChIInChI=1S/C23H26N6O2/c30-22(20-9-5-13-29(20)23(31)25-17-7-2-1-3-8-17)28-12-4-6-16(15-28)21-26-18-10-11-24-14-19(18)27-21/h1-3,7-8,10-11,14,16,20H,4-6,9,12-13,15H2,(H,25,31)(H,26,27)/t16?,20-/m1/s1
InChIKeySMHBEZKTFXPIBY-OTOKDRCRSA-N
MW418.50 g/mol
LogP3.36
Rot. Bonds3

About (2R)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpyrrolidine-1-carboxamide

(2R)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpyrrolidine-1-carboxamide (PubChem CID 134800639) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is (2R)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpyrrolidine-1-carboxamide
PubChem CID134800639
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name(2R)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpyrrolidine-1-carboxamide
SMILESO=C([C@H]1CCCN1C(=O)Nc1ccccc1)N1CCCC(c2nc3ccncc3[nH]2)C1
InChIInChI=1S/C23H26N6O2/c30-22(20-9-5-13-29(20)23(31)25-17-7-2-1-3-8-17)28-12-4-6-16(15-28)21-26-18-10-11-24-14-19(18)27-21/h1-3,7-8,10-11,14,16,20H,4-6,9,12-13,15H2,(H,25,31)(H,26,27)/t16?,20-/m1/s1
InChIKeySMHBEZKTFXPIBY-OTOKDRCRSA-N
XLogP3.36
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpyrrolidine-1-carboxamide
CID 134799475
N-(4-chlorophenyl)-3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide
CID 134796934
cyclopentyl-[3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 134798256
cyclopentyl-[3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 134797363
3-(1H-benzimidazol-2-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 44754575
2-(1H-benzimidazol-2-yl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993592
methyl 4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 134796420
[1-(2-chlorobenzoyl)piperidin-3-yl]-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 134799871
(1-benzoylpiperidin-3-yl)-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]methanone
CID 134795960
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 51329202
3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide
CID 42934572

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpyrrolidine-1-carboxamide (CID 134800639) is (2R)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpyrrolidine-1-carboxamide is O=C([C@H]1CCCN1C(=O)Nc1ccccc1)N1CCCC(c2nc3ccncc3[nH]2)C1.
What is the InChIKey of (2R)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpyrrolidine-1-carboxamide?
The InChIKey is SMHBEZKTFXPIBY-OTOKDRCRSA-N. The full InChI is InChI=1S/C23H26N6O2/c30-22(20-9-5-13-29(20)23(31)25-17-7-2-1-3-8-17)28-12-4-6-16(15-28)21-26-18-10-11-24-14-19(18)27-21/h1-3,7-8,10-11,14,16,20H,4-6,9,12-13,15H2,(H,25,31)(H,26,27)/t16?,20-/m1/s1.
What are the key properties of (2R)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpyrrolidine-1-carboxamide?
(2R)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpyrrolidine-1-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 134800639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).