3-(methylamino)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-4-carboxamide

C17H27N3O — CID 105070730

IUPAC3-(methylamino)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)NCC1(CC(C)C)CCCC1
InChIInChI=1S/C17H27N3O/c1-13(2)10-17(7-4-5-8-17)12-20-16(21)14-6-9-19-11-15(14)18-3/h6,9,11,13,18H,4-5,7-8,10,12H2,1-3H3,(H,20,21)
InChIKeyXCXIRXQFHYIPMS-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.46
Rot. Bonds6

About 3-(methylamino)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-4-carboxamide

3-(methylamino)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-4-carboxamide (PubChem CID 105070730) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-(methylamino)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(methylamino)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-4-carboxamide
PubChem CID105070730
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-(methylamino)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)NCC1(CC(C)C)CCCC1
InChIInChI=1S/C17H27N3O/c1-13(2)10-17(7-4-5-8-17)12-20-16(21)14-6-9-19-11-15(14)18-3/h6,9,11,13,18H,4-5,7-8,10,12H2,1-3H3,(H,20,21)
InChIKeyXCXIRXQFHYIPMS-UHFFFAOYSA-N
XLogP3.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 81443017
N-[(1-ethylcyclobutyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 114109624
N-ethyl-3-(methylamino)pyridine-4-carboxamide
CID 105068179
3-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 105070238
3-(methylamino)-N-(6-methylheptan-2-yl)pyridine-4-carboxamide
CID 105069629
3-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]pyridine-4-carboxamide
CID 105069426
3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 115362736
2-amino-5-hydroxy-N-[[1-(2-methylpropyl)cyclopentyl]methyl]benzamide
CID 107075669
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methoxypyridine-4-carboxamide
CID 105063923
N-[(1,1-dioxothiolan-2-yl)methyl]-3-(methylamino)pyridine-4-carboxamide
CID 105070801
N-[[1-(aminomethyl)cyclohexyl]methyl]-3-hydroxypyridine-4-carboxamide
CID 103970138
3-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 113359928

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 3-(methylamino)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-4-carboxamide (CID 105070730) is 3-(methylamino)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-(methylamino)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-(methylamino)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-4-carboxamide is CNc1cnccc1C(=O)NCC1(CC(C)C)CCCC1.
What is the InChIKey of 3-(methylamino)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-4-carboxamide?
The InChIKey is XCXIRXQFHYIPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(2)10-17(7-4-5-8-17)12-20-16(21)14-6-9-19-11-15(14)18-3/h6,9,11,13,18H,4-5,7-8,10,12H2,1-3H3,(H,20,21).
What are the key properties of 3-(methylamino)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-4-carboxamide?
3-(methylamino)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-4-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 105070730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).