2-amino-1-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide

C13H19N3O — CID 82764201

IUPAC2-amino-1-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
SMILESCC1(C(=O)NCc2ccncc2)CCCC1N
InChIInChI=1S/C13H19N3O/c1-13(6-2-3-11(13)14)12(17)16-9-10-4-7-15-8-5-10/h4-5,7-8,11H,2-3,6,9,14H2,1H3,(H,16,17)
InChIKeyMWSQVGPWZQLKHT-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.22
Rot. Bonds3

About 2-amino-1-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide

2-amino-1-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide (PubChem CID 82764201) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-amino-1-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-1-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
PubChem CID82764201
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-amino-1-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
SMILESCC1(C(=O)NCc2ccncc2)CCCC1N
InChIInChI=1S/C13H19N3O/c1-13(6-2-3-11(13)14)12(17)16-9-10-4-7-15-8-5-10/h4-5,7-8,11H,2-3,6,9,14H2,1H3,(H,16,17)
InChIKeyMWSQVGPWZQLKHT-UHFFFAOYSA-N
XLogP1.22
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(4-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 114332102
2-amino-N-[(4-bromophenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 82763604
2-amino-1-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 114700240
2-amino-N-[(3-fluorophenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 82763607
3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]benzamide
CID 82767506
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-(4-aminobutyl)-1-methylcyclopentane-1-carboxamide
CID 82767781
2-amino-N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide
CID 82767784
2-amino-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
CID 64824475
1,2-dimethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 91273952
2-amino-1-methyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 82766043

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-1-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide (CID 82764201) is 2-amino-1-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-1-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-1-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide is CC1(C(=O)NCc2ccncc2)CCCC1N.
What is the InChIKey of 2-amino-1-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide?
The InChIKey is MWSQVGPWZQLKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(6-2-3-11(13)14)12(17)16-9-10-4-7-15-8-5-10/h4-5,7-8,11H,2-3,6,9,14H2,1H3,(H,16,17).
What are the key properties of 2-amino-1-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide?
2-amino-1-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.22, 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-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 82764201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).