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

C15H18N6 — CID 107110060

IUPAC3-[[4-(3-aminopyrazol-1-yl)piperidin-1-yl]methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CN1CCC(n2ccc(N)n2)CC1
InChIInChI=1S/C15H18N6/c16-10-14-12(2-1-6-18-14)11-20-7-3-13(4-8-20)21-9-5-15(17)19-21/h1-2,5-6,9,13H,3-4,7-8,11H2,(H2,17,19)
InChIKeyPEQIVKRRVCYUSK-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.57
Rot. Bonds3

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

3-[[4-(3-aminopyrazol-1-yl)piperidin-1-yl]methyl]pyridine-2-carbonitrile (PubChem CID 107110060) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-[[4-(3-aminopyrazol-1-yl)piperidin-1-yl]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[4-(3-aminopyrazol-1-yl)piperidin-1-yl]methyl]pyridine-2-carbonitrile
PubChem CID107110060
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name3-[[4-(3-aminopyrazol-1-yl)piperidin-1-yl]methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CN1CCC(n2ccc(N)n2)CC1
InChIInChI=1S/C15H18N6/c16-10-14-12(2-1-6-18-14)11-20-7-3-13(4-8-20)21-9-5-15(17)19-21/h1-2,5-6,9,13H,3-4,7-8,11H2,(H2,17,19)
InChIKeyPEQIVKRRVCYUSK-UHFFFAOYSA-N
XLogP1.57
TPSA83.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
CID 63169618
3-[(4-cyclopentylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 62920093
2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-4-yl]oxyacetic acid
CID 63904911
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-amine
CID 107109946
1-[1-(3-ethoxy-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine
CID 107110311
3-(1,4-oxazepan-4-ylmethyl)pyridine-2-carbonitrile
CID 55209023
1-[1-(2-cyclopropylethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109993
1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-amine
CID 107109920
3-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile
CID 62894272
1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-amine
CID 107109823
3-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 65448111
2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-3-yl]acetic acid
CID 62893419

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-aminopyrazol-1-yl)piperidin-1-yl]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[4-(3-aminopyrazol-1-yl)piperidin-1-yl]methyl]pyridine-2-carbonitrile (CID 107110060) is 3-[[4-(3-aminopyrazol-1-yl)piperidin-1-yl]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[4-(3-aminopyrazol-1-yl)piperidin-1-yl]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[4-(3-aminopyrazol-1-yl)piperidin-1-yl]methyl]pyridine-2-carbonitrile is N#Cc1ncccc1CN1CCC(n2ccc(N)n2)CC1.
What is the InChIKey of 3-[[4-(3-aminopyrazol-1-yl)piperidin-1-yl]methyl]pyridine-2-carbonitrile?
The InChIKey is PEQIVKRRVCYUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c16-10-14-12(2-1-6-18-14)11-20-7-3-13(4-8-20)21-9-5-15(17)19-21/h1-2,5-6,9,13H,3-4,7-8,11H2,(H2,17,19).
What are the key properties of 3-[[4-(3-aminopyrazol-1-yl)piperidin-1-yl]methyl]pyridine-2-carbonitrile?
3-[[4-(3-aminopyrazol-1-yl)piperidin-1-yl]methyl]pyridine-2-carbonitrile has a molecular weight of 282.35 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-aminopyrazol-1-yl)piperidin-1-yl]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 107110060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).