2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide

C14H18N6O — CID 82758704

IUPAC2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide
SMILESCC1(C(=O)Nc2cccnc2-n2cncn2)CCCC1N
InChIInChI=1S/C14H18N6O/c1-14(6-2-5-11(14)15)13(21)19-10-4-3-7-17-12(10)20-9-16-8-18-20/h3-4,7-9,11H,2,5-6,15H2,1H3,(H,19,21)
InChIKeyRLQGAUQUASJALX-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.12
Rot. Bonds3

About 2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide

2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide (PubChem CID 82758704) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide
PubChem CID82758704
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide
SMILESCC1(C(=O)Nc2cccnc2-n2cncn2)CCCC1N
InChIInChI=1S/C14H18N6O/c1-14(6-2-5-11(14)15)13(21)19-10-4-3-7-17-12(10)20-9-16-8-18-20/h3-4,7-9,11H,2,5-6,15H2,1H3,(H,19,21)
InChIKeyRLQGAUQUASJALX-UHFFFAOYSA-N
XLogP1.12
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide
CID 82764172
2-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide
CID 64822462
N-(4,4-dimethylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 65083355
2-amino-N-(2-ethylphenyl)-1-methylcyclopentane-1-carboxamide
CID 82765748
(2S)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 61169536
N-(3,3-dimethylcyclopentyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 80706323
(2S)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide
CID 104913644
(2R)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide
CID 104913643
2-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 79388465
N-(4-methylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 65080282
4-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 51983091
2-methoxy-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
CID 62046673

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide (CID 82758704) is 2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide is CC1(C(=O)Nc2cccnc2-n2cncn2)CCCC1N.
What is the InChIKey of 2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide?
The InChIKey is RLQGAUQUASJALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-14(6-2-5-11(14)15)13(21)19-10-4-3-7-17-12(10)20-9-16-8-18-20/h3-4,7-9,11H,2,5-6,15H2,1H3,(H,19,21).
What are the key properties of 2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide?
2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 82758704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).