(3R)-1-(1-methylbenzimidazole-5-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide

C19H19N5O2 — CID 92633265

IUPAC(3R)-1-(1-methylbenzimidazole-5-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide
SMILESCn1cnc2cc(C(=O)N3CC[C@@H](C(=O)Nc4ccccn4)C3)ccc21
InChIInChI=1S/C19H19N5O2/c1-23-12-21-15-10-13(5-6-16(15)23)19(26)24-9-7-14(11-24)18(25)22-17-4-2-3-8-20-17/h2-6,8,10,12,14H,7,9,11H2,1H3,(H,20,22,25)/t14-/m1/s1
InChIKeyQQHCEVXOOKIOFJ-CQSZACIVSA-N
MW349.39 g/mol
LogP2.07
Rot. Bonds3

About (3R)-1-(1-methylbenzimidazole-5-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide

(3R)-1-(1-methylbenzimidazole-5-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide (PubChem CID 92633265) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is (3R)-1-(1-methylbenzimidazole-5-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(1-methylbenzimidazole-5-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide
PubChem CID92633265
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name(3R)-1-(1-methylbenzimidazole-5-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide
SMILESCn1cnc2cc(C(=O)N3CC[C@@H](C(=O)Nc4ccccn4)C3)ccc21
InChIInChI=1S/C19H19N5O2/c1-23-12-21-15-10-13(5-6-16(15)23)19(26)24-9-7-14(11-24)18(25)22-17-4-2-3-8-20-17/h2-6,8,10,12,14H,7,9,11H2,1H3,(H,20,22,25)/t14-/m1/s1
InChIKeyQQHCEVXOOKIOFJ-CQSZACIVSA-N
XLogP2.07
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(1,5-dimethylindole-2-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 92633329
N-pyridin-2-yl-1-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 110246630
1-(1-methylpyrrole-2-carbonyl)-N-pyridin-2-ylpiperidine-3-carboxamide
CID 126799508
(3-aminopiperidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 83733082
1-(1-methylindole-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 51123650
cyclopentyl-[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110801662
[1-(1-methylbenzimidazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 118789278
1-(4-cyclopentyloxy-3-methoxybenzoyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808317
N,N-dimethyl-2-[1-(1-methylbenzimidazole-5-carbonyl)piperidin-4-yl]acetamide
CID 92633830
N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide
CID 110728508
1-(1-methylbenzotriazole-5-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 20932872
(3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 51927409

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-methylbenzimidazole-5-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(1-methylbenzimidazole-5-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide (CID 92633265) is (3R)-1-(1-methylbenzimidazole-5-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(1-methylbenzimidazole-5-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(1-methylbenzimidazole-5-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide is Cn1cnc2cc(C(=O)N3CC[C@@H](C(=O)Nc4ccccn4)C3)ccc21.
What is the InChIKey of (3R)-1-(1-methylbenzimidazole-5-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide?
The InChIKey is QQHCEVXOOKIOFJ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-23-12-21-15-10-13(5-6-16(15)23)19(26)24-9-7-14(11-24)18(25)22-17-4-2-3-8-20-17/h2-6,8,10,12,14H,7,9,11H2,1H3,(H,20,22,25)/t14-/m1/s1.
What are the key properties of (3R)-1-(1-methylbenzimidazole-5-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide?
(3R)-1-(1-methylbenzimidazole-5-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-methylbenzimidazole-5-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 92633265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).