6-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]amino]pyridine-3-carbonitrile

C17H19N5 — CID 122564334

IUPAC6-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NC2CCCN(Cc3cccnc3)C2)nc1
InChIInChI=1S/C17H19N5/c18-9-14-5-6-17(20-11-14)21-16-4-2-8-22(13-16)12-15-3-1-7-19-10-15/h1,3,5-7,10-11,16H,2,4,8,12-13H2,(H,20,21)
InChIKeyJYNINOCPDYKKPP-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.42
Rot. Bonds4

About 6-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]amino]pyridine-3-carbonitrile

6-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]amino]pyridine-3-carbonitrile (PubChem CID 122564334) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]amino]pyridine-3-carbonitrile
PubChem CID122564334
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name6-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NC2CCCN(Cc3cccnc3)C2)nc1
InChIInChI=1S/C17H19N5/c18-9-14-5-6-17(20-11-14)21-16-4-2-8-22(13-16)12-15-3-1-7-19-10-15/h1,3,5-7,10-11,16H,2,4,8,12-13H2,(H,20,21)
InChIKeyJYNINOCPDYKKPP-UHFFFAOYSA-N
XLogP2.42
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(1-benzylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile
CID 18133059
6-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-4-amine
CID 95140355
5-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 122558298
2-cyclopropyl-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172900331
6-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile
CID 129368242
1-phenyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanesulfonamide
CID 125441693
N-(1,4-dithiepan-6-yl)-1-(pyridin-3-ylmethyl)piperidin-3-amine
CID 122555983
4-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 125435533
N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazole-5-carboxamide
CID 125441300
6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 133411893
N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-3-yl]ethanamine
CID 55256845
3-[6-[[(3R)-1-benzylpiperidin-3-yl]amino]-3-pyridinyl]prop-2-enoic acid
CID 68962344

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]amino]pyridine-3-carbonitrile (CID 122564334) is 6-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]amino]pyridine-3-carbonitrile is N#Cc1ccc(NC2CCCN(Cc3cccnc3)C2)nc1.
What is the InChIKey of 6-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]amino]pyridine-3-carbonitrile?
The InChIKey is JYNINOCPDYKKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c18-9-14-5-6-17(20-11-14)21-16-4-2-8-22(13-16)12-15-3-1-7-19-10-15/h1,3,5-7,10-11,16H,2,4,8,12-13H2,(H,20,21).
What are the key properties of 6-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]amino]pyridine-3-carbonitrile?
6-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]amino]pyridine-3-carbonitrile has a molecular weight of 293.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 122564334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).