6-[4-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile

C20H23N5O — CID 95579184

IUPAC6-[4-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(C(=O)N3CCC[C@H]3c3ccc[nH]3)CC2)nc1
InChIInChI=1S/C20H23N5O/c21-13-15-5-6-19(23-14-15)24-11-7-16(8-12-24)20(26)25-10-2-4-18(25)17-3-1-9-22-17/h1,3,5-6,9,14,16,18,22H,2,4,7-8,10-12H2/t18-/m0/s1
InChIKeyQTMFJLNLFTXQGU-SFHVURJKSA-N
MW349.44 g/mol
LogP2.86
Rot. Bonds3

About 6-[4-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile

6-[4-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 95579184) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 6-[4-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID95579184
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name6-[4-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(C(=O)N3CCC[C@H]3c3ccc[nH]3)CC2)nc1
InChIInChI=1S/C20H23N5O/c21-13-15-5-6-19(23-14-15)24-11-7-16(8-12-24)20(26)25-10-2-4-18(25)17-3-1-9-22-17/h1,3,5-6,9,14,16,18,22H,2,4,7-8,10-12H2/t18-/m0/s1
InChIKeyQTMFJLNLFTXQGU-SFHVURJKSA-N
XLogP2.86
TPSA76.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[4-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile
CID 26035276
6-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 17449663
6-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]azepan-1-yl]pyridine-3-carbonitrile
CID 138049082
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 51300981
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
(2S)-2-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]azepane-1-carboxamide
CID 95353407
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 95579135
6-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602459
1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47137770
6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 75461915
fluoromethane;6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 169148538
6-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 62045126

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile (CID 95579184) is 6-[4-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCC(C(=O)N3CCC[C@H]3c3ccc[nH]3)CC2)nc1.
What is the InChIKey of 6-[4-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is QTMFJLNLFTXQGU-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N5O/c21-13-15-5-6-19(23-14-15)24-11-7-16(8-12-24)20(26)25-10-2-4-18(25)17-3-1-9-22-17/h1,3,5-6,9,14,16,18,22H,2,4,7-8,10-12H2/t18-/m0/s1.
What are the key properties of 6-[4-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile?
6-[4-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 349.44 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 95579184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).