2-[4-(cyclopropylmethylamino)piperidin-1-yl]pyridine-3-carbonitrile

C15H20N4 — CID 115307500

IUPAC2-[4-(cyclopropylmethylamino)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H20N4/c16-10-13-2-1-7-17-15(13)19-8-5-14(6-9-19)18-11-12-3-4-12/h1-2,7,12,14,18H,3-6,8-9,11H2
InChIKeyFBELITKABMLFTG-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.92
Rot. Bonds4

About 2-[4-(cyclopropylmethylamino)piperidin-1-yl]pyridine-3-carbonitrile

2-[4-(cyclopropylmethylamino)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 115307500) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethylamino)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(cyclopropylmethylamino)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID115307500
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-[4-(cyclopropylmethylamino)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H20N4/c16-10-13-2-1-7-17-15(13)19-8-5-14(6-9-19)18-11-12-3-4-12/h1-2,7,12,14,18H,3-6,8-9,11H2
InChIKeyFBELITKABMLFTG-UHFFFAOYSA-N
XLogP1.92
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrazine-2-carbonitrile
CID 115307614
1-(3-chloro-2-pyridinyl)-N-(cyclopropylmethyl)piperidin-4-amine
CID 113283451
2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride
CID 163329752
N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]oxamide
CID 73167597
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 121108857
N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-ethyloxamide
CID 121107725
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 131912368
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2,2-diphenylacetamide
CID 121108971
2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 113235312
2-(3-azabicyclo[4.1.0]heptan-3-yl)pyridine-3-carbonitrile
CID 117045417
2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 55210322
(4R)-3-[2-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]amino]acetyl]-1,3-thiazolidine-4-carbonitrile
CID 139987548

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]pyridine-3-carbonitrile (CID 115307500) is 2-[4-(cyclopropylmethylamino)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(cyclopropylmethylamino)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(cyclopropylmethylamino)piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCC(NCC2CC2)CC1.
What is the InChIKey of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is FBELITKABMLFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c16-10-13-2-1-7-17-15(13)19-8-5-14(6-9-19)18-11-12-3-4-12/h1-2,7,12,14,18H,3-6,8-9,11H2.
What are the key properties of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]pyridine-3-carbonitrile?
2-[4-(cyclopropylmethylamino)piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 256.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethylamino)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 115307500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).