1-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclopentane-1-carboxamide;dihydrochloride

C13H21Cl2N3O — CID 119869384

IUPAC1-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCc1cccnc1CNC(=O)C1(N)CCCC1.Cl.Cl
InChIInChI=1S/C13H19N3O.2ClH/c1-10-5-4-8-15-11(10)9-16-12(17)13(14)6-2-3-7-13;;/h4-5,8H,2-3,6-7,9,14H2,1H3,(H,16,17);2*1H
InChIKeyPBURQOPVSKATIK-UHFFFAOYSA-N
MW306.24 g/mol
LogP2.12
Rot. Bonds3

About 1-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclopentane-1-carboxamide;dihydrochloride

1-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119869384) has the molecular formula C13H21Cl2N3O and a molecular weight of 306.24 g/mol. Its IUPAC name is 1-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119869384
Molecular FormulaC13H21Cl2N3O
Molecular Weight306.24 g/mol
Exact Mass305.11
IUPAC Name1-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCc1cccnc1CNC(=O)C1(N)CCCC1.Cl.Cl
InChIInChI=1S/C13H19N3O.2ClH/c1-10-5-4-8-15-11(10)9-16-12(17)13(14)6-2-3-7-13;;/h4-5,8H,2-3,6-7,9,14H2,1H3,(H,16,17);2*1H
InChIKeyPBURQOPVSKATIK-UHFFFAOYSA-N
XLogP2.12
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119946915
1-cyano-N-[(3-methyl-2-pyridinyl)methyl]cyclobutane-1-carboxamide
CID 78995295
1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119270631
1-amino-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 24708548
2-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 64822512
1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]cyclobutane-1-carboxamide
CID 80594364
2-[(3-methyl-2-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815795
1-amino-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxamide
CID 138010238
1-amino-N-[3-(2-methylphenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119317018
1-amino-N-[(2-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119331950
1-amino-N-[2-methyl-2-(2-methylphenyl)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119308087
2,2-dimethyl-3-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 64835828

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119869384) is 1-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclopentane-1-carboxamide;dihydrochloride is Cc1cccnc1CNC(=O)C1(N)CCCC1.Cl.Cl.
What is the InChIKey of 1-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is PBURQOPVSKATIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.2ClH/c1-10-5-4-8-15-11(10)9-16-12(17)13(14)6-2-3-7-13;;/h4-5,8H,2-3,6-7,9,14H2,1H3,(H,16,17);2*1H.
What are the key properties of 1-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclopentane-1-carboxamide;dihydrochloride?
1-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 306.24 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119869384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).