6-[4-(5-aminopyrazolidin-3-yl)piperidin-1-yl]-3-chloropyridine-2-carbonitrile

C14H19ClN6 — CID 134068462

IUPAC6-[4-(5-aminopyrazolidin-3-yl)piperidin-1-yl]-3-chloropyridine-2-carbonitrile
SMILESN#Cc1nc(N2CCC(C3CC(N)NN3)CC2)ccc1Cl
InChIInChI=1S/C14H19ClN6/c15-10-1-2-14(18-12(10)8-16)21-5-3-9(4-6-21)11-7-13(17)20-19-11/h1-2,9,11,13,19-20H,3-7,17H2
InChIKeyZYHNFFJXKCKOHQ-UHFFFAOYSA-N
MW306.80 g/mol
LogP0.97
Rot. Bonds2

About 6-[4-(5-aminopyrazolidin-3-yl)piperidin-1-yl]-3-chloropyridine-2-carbonitrile

6-[4-(5-aminopyrazolidin-3-yl)piperidin-1-yl]-3-chloropyridine-2-carbonitrile (PubChem CID 134068462) has the molecular formula C14H19ClN6 and a molecular weight of 306.80 g/mol. Its IUPAC name is 6-[4-(5-aminopyrazolidin-3-yl)piperidin-1-yl]-3-chloropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-(5-aminopyrazolidin-3-yl)piperidin-1-yl]-3-chloropyridine-2-carbonitrile
PubChem CID134068462
Molecular FormulaC14H19ClN6
Molecular Weight306.80 g/mol
Exact Mass306.14
IUPAC Name6-[4-(5-aminopyrazolidin-3-yl)piperidin-1-yl]-3-chloropyridine-2-carbonitrile
SMILESN#Cc1nc(N2CCC(C3CC(N)NN3)CC2)ccc1Cl
InChIInChI=1S/C14H19ClN6/c15-10-1-2-14(18-12(10)8-16)21-5-3-9(4-6-21)11-7-13(17)20-19-11/h1-2,9,11,13,19-20H,3-7,17H2
InChIKeyZYHNFFJXKCKOHQ-UHFFFAOYSA-N
XLogP0.97
TPSA90.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-chloro-6-cyano-2-pyridinyl)piperidine-4-carboxylic acid
CID 122047509
3-chloro-6-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile
CID 133323340
3-chloro-6-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 56584208
3-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-2-carbonitrile
CID 127430193
3-chloro-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 133458797
3-chloro-6-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile
CID 56584074
3-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 133282877
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-chloropyridine-2-carbonitrile
CID 133305732
3-chloro-6-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pyridine-2-carbonitrile
CID 75373310
6-(3-anilinopiperidin-1-yl)-3-chloropyridine-2-carbonitrile
CID 133363190
5-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]pyrazolidin-3-amine
CID 133349674
3-chloro-6-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 56584036

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-aminopyrazolidin-3-yl)piperidin-1-yl]-3-chloropyridine-2-carbonitrile?
The IUPAC name of 6-[4-(5-aminopyrazolidin-3-yl)piperidin-1-yl]-3-chloropyridine-2-carbonitrile (CID 134068462) is 6-[4-(5-aminopyrazolidin-3-yl)piperidin-1-yl]-3-chloropyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-(5-aminopyrazolidin-3-yl)piperidin-1-yl]-3-chloropyridine-2-carbonitrile?
The canonical SMILES for 6-[4-(5-aminopyrazolidin-3-yl)piperidin-1-yl]-3-chloropyridine-2-carbonitrile is N#Cc1nc(N2CCC(C3CC(N)NN3)CC2)ccc1Cl.
What is the InChIKey of 6-[4-(5-aminopyrazolidin-3-yl)piperidin-1-yl]-3-chloropyridine-2-carbonitrile?
The InChIKey is ZYHNFFJXKCKOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN6/c15-10-1-2-14(18-12(10)8-16)21-5-3-9(4-6-21)11-7-13(17)20-19-11/h1-2,9,11,13,19-20H,3-7,17H2.
What are the key properties of 6-[4-(5-aminopyrazolidin-3-yl)piperidin-1-yl]-3-chloropyridine-2-carbonitrile?
6-[4-(5-aminopyrazolidin-3-yl)piperidin-1-yl]-3-chloropyridine-2-carbonitrile has a molecular weight of 306.80 g/mol, XLogP of 0.97, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-aminopyrazolidin-3-yl)piperidin-1-yl]-3-chloropyridine-2-carbonitrile is sourced from PubChem (CID 134068462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).