5-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]pyridine-2-carbonitrile

C17H16N4O — CID 166613705

IUPAC5-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(C(=O)N2CCC(Cc3ccccn3)C2)cn1
InChIInChI=1S/C17H16N4O/c18-10-16-5-4-14(11-20-16)17(22)21-8-6-13(12-21)9-15-3-1-2-7-19-15/h1-5,7,11,13H,6,8-9,12H2
InChIKeyOBSZKGUOKDTERX-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.05
Rot. Bonds3

About 5-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]pyridine-2-carbonitrile

5-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]pyridine-2-carbonitrile (PubChem CID 166613705) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]pyridine-2-carbonitrile
PubChem CID166613705
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name5-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(C(=O)N2CCC(Cc3ccccn3)C2)cn1
InChIInChI=1S/C17H16N4O/c18-10-16-5-4-14(11-20-16)17(22)21-8-6-13(12-21)9-15-3-1-2-7-19-15/h1-5,7,11,13H,6,8-9,12H2
InChIKeyOBSZKGUOKDTERX-UHFFFAOYSA-N
XLogP2.05
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile
CID 72937420
(2-cyclopropylpyrimidin-5-yl)-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 125026604
2,3-dihydro-1-benzofuran-5-yl-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 166618855
(4-ethylphenyl)-[4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 121451736
4-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one
CID 166617141
methyl 4-[4-(pyridin-2-ylmethyl)piperidine-1-carbonyl]benzoate
CID 122137060
[3-(pyridin-2-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 175652360
(1-aminocyclopentyl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 171325435
(3-methoxyphenyl)-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 124968475
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 166618279
(4-methylphenyl)-[3-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-1-yl]methanone
CID 130315755
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207

Frequently Asked Questions

What is the IUPAC name of 5-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]pyridine-2-carbonitrile?
The IUPAC name of 5-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]pyridine-2-carbonitrile (CID 166613705) is 5-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]pyridine-2-carbonitrile is N#Cc1ccc(C(=O)N2CCC(Cc3ccccn3)C2)cn1.
What is the InChIKey of 5-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]pyridine-2-carbonitrile?
The InChIKey is OBSZKGUOKDTERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c18-10-16-5-4-14(11-20-16)17(22)21-8-6-13(12-21)9-15-3-1-2-7-19-15/h1-5,7,11,13H,6,8-9,12H2.
What are the key properties of 5-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]pyridine-2-carbonitrile?
5-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]pyridine-2-carbonitrile has a molecular weight of 292.34 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]pyridine-2-carbonitrile is sourced from PubChem (CID 166613705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).