(2R)-N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide

C15H18N4O — CID 95604428

IUPAC(2R)-N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccncc1)N1CCC[C@@H]1c1ccc[nH]1
InChIInChI=1S/C15H18N4O/c20-15(18-11-12-5-8-16-9-6-12)19-10-2-4-14(19)13-3-1-7-17-13/h1,3,5-9,14,17H,2,4,10-11H2,(H,18,20)/t14-/m1/s1
InChIKeyVGLGORJGZUJKTN-CQSZACIVSA-N
MW270.34 g/mol
LogP2.46
Rot. Bonds3

About (2R)-N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide

(2R)-N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 95604428) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is (2R)-N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
PubChem CID95604428
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name(2R)-N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccncc1)N1CCC[C@@H]1c1ccc[nH]1
InChIInChI=1S/C15H18N4O/c20-15(18-11-12-5-8-16-9-6-12)19-10-2-4-14(19)13-3-1-7-17-13/h1,3,5-9,14,17H,2,4,10-11H2,(H,18,20)/t14-/m1/s1
InChIKeyVGLGORJGZUJKTN-CQSZACIVSA-N
XLogP2.46
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 47256655
(2R)-N-(pyridin-2-ylmethyl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 95596170
N-[(4-methylphenyl)methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 47022403
(2R)-N-[(1-cyclopropylcyclobutyl)methyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 99634075
2-(1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 53497837
1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butane-1,3-dione
CID 60951109
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 48791325
(3-fluoro-4-pyridinyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 113240934
2-(1H-pyrrol-2-yl)-N-quinolin-8-ylpyrrolidine-1-carboxamide
CID 48791386
2-[1-(pyridin-4-ylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61196830
3-phenyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 47028466
2-pyridin-4-yl-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide
CID 51084887

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide (CID 95604428) is (2R)-N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide is O=C(NCc1ccncc1)N1CCC[C@@H]1c1ccc[nH]1.
What is the InChIKey of (2R)-N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is VGLGORJGZUJKTN-CQSZACIVSA-N. The full InChI is InChI=1S/C15H18N4O/c20-15(18-11-12-5-8-16-9-6-12)19-10-2-4-14(19)13-3-1-7-17-13/h1,3,5-9,14,17H,2,4,10-11H2,(H,18,20)/t14-/m1/s1.
What are the key properties of (2R)-N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide?
(2R)-N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95604428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).