N-[1-(aminomethyl)cyclopentyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride

C13H20ClN3O2 — CID 119568364

IUPACN-[1-(aminomethyl)cyclopentyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
SMILESCc1ccc(C(=O)NC2(CN)CCCC2)c(=O)[nH]1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-9-4-5-10(11(17)15-9)12(18)16-13(8-14)6-2-3-7-13;/h4-5H,2-3,6-8,14H2,1H3,(H,15,17)(H,16,18);1H
InChIKeySKSSSNUTWTUKRB-UHFFFAOYSA-N
MW285.77 g/mol
LogP1.11
Rot. Bonds3

About N-[1-(aminomethyl)cyclopentyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride (PubChem CID 119568364) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
PubChem CID119568364
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
SMILESCc1ccc(C(=O)NC2(CN)CCCC2)c(=O)[nH]1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-9-4-5-10(11(17)15-9)12(18)16-13(8-14)6-2-3-7-13;/h4-5H,2-3,6-8,14H2,1H3,(H,15,17)(H,16,18);1H
InChIKeySKSSSNUTWTUKRB-UHFFFAOYSA-N
XLogP1.11
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride (CID 119568364) is N-[1-(aminomethyl)cyclopentyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride is Cc1ccc(C(=O)NC2(CN)CCCC2)c(=O)[nH]1.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride?
The InChIKey is SKSSSNUTWTUKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.ClH/c1-9-4-5-10(11(17)15-9)12(18)16-13(8-14)6-2-3-7-13;/h4-5H,2-3,6-8,14H2,1H3,(H,15,17)(H,16,18);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride has a molecular weight of 285.77 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119568364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).