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

C14H21N3O — CID 114700240

IUPAC2-amino-1-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentane-1-carboxamide
SMILESCc1cnccc1CNC(=O)C1(C)CCCC1N
InChIInChI=1S/C14H21N3O/c1-10-8-16-7-5-11(10)9-17-13(18)14(2)6-3-4-12(14)15/h5,7-8,12H,3-4,6,9,15H2,1-2H3,(H,17,18)
InChIKeyKKPJIRIXTZGLBE-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.52
Rot. Bonds3

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

2-amino-1-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentane-1-carboxamide (PubChem CID 114700240) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-amino-1-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-1-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentane-1-carboxamide
PubChem CID114700240
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-amino-1-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentane-1-carboxamide
SMILESCc1cnccc1CNC(=O)C1(C)CCCC1N
InChIInChI=1S/C14H21N3O/c1-10-8-16-7-5-11(10)9-17-13(18)14(2)6-3-4-12(14)15/h5,7-8,12H,3-4,6,9,15H2,1-2H3,(H,17,18)
InChIKeyKKPJIRIXTZGLBE-UHFFFAOYSA-N
XLogP1.52
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
CID 82764201
2-amino-N-[(4-bromophenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 82763604
1-cyclohexyl-3-[(3-methyl-4-pyridinyl)methyl]urea
CID 114699395
1-[(Z)-N'-hydroxycarbamimidoyl]-N-[(3-methyl-4-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 114701583
2-amino-1-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 82768436
2-amino-N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentane-1-carboxamide
CID 82765475
2-amino-1-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 114125275
2-amino-N-[(3-fluorophenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 82763607
3-amino-3-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]propanamide
CID 114700236
(3aS,6aR)-2-[(3-methyl-4-pyridinyl)methylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122010964
2-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]benzoic acid
CID 82759376
3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]benzamide
CID 82767506

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-1-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentane-1-carboxamide (CID 114700240) is 2-amino-1-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-1-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-1-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentane-1-carboxamide is Cc1cnccc1CNC(=O)C1(C)CCCC1N.
What is the InChIKey of 2-amino-1-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is KKPJIRIXTZGLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-8-16-7-5-11(10)9-17-13(18)14(2)6-3-4-12(14)15/h5,7-8,12H,3-4,6,9,15H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-1-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentane-1-carboxamide?
2-amino-1-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 114700240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).