N-(1-aminopentan-2-yl)-2-methylpyridine-4-carboxamide

C12H19N3O — CID 106753662

IUPACN-(1-aminopentan-2-yl)-2-methylpyridine-4-carboxamide
SMILESCCCC(CN)NC(=O)c1ccnc(C)c1
InChIInChI=1S/C12H19N3O/c1-3-4-11(8-13)15-12(16)10-5-6-14-9(2)7-10/h5-7,11H,3-4,8,13H2,1-2H3,(H,15,16)
InChIKeyQWPXURLCEQTBMQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.25
Rot. Bonds5

About N-(1-aminopentan-2-yl)-2-methylpyridine-4-carboxamide

N-(1-aminopentan-2-yl)-2-methylpyridine-4-carboxamide (PubChem CID 106753662) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(1-aminopentan-2-yl)-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-aminopentan-2-yl)-2-methylpyridine-4-carboxamide
PubChem CID106753662
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(1-aminopentan-2-yl)-2-methylpyridine-4-carboxamide
SMILESCCCC(CN)NC(=O)c1ccnc(C)c1
InChIInChI=1S/C12H19N3O/c1-3-4-11(8-13)15-12(16)10-5-6-14-9(2)7-10/h5-7,11H,3-4,8,13H2,1-2H3,(H,15,16)
InChIKeyQWPXURLCEQTBMQ-UHFFFAOYSA-N
XLogP1.25
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-2-methylpyridine-4-carboxamide
CID 106753746
N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-4-carboxamide
CID 106753467
N-(4-aminobutan-2-yl)-2-methylpyridine-4-carboxamide
CID 106752319
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-methylpyridine-4-carboxamide
CID 106752988
N-(1-aminopentan-2-yl)-3-bromo-5-methylbenzamide
CID 115999655
N-(5-hydroxypentan-2-yl)-2-methylpyridine-4-carboxamide
CID 106753439
3-[(2-chloropyridine-4-carbonyl)amino]hexanoic acid
CID 103925925
N-(1-aminopentan-2-yl)-4-bromo-3-fluorobenzamide
CID 65190911
methyl 2-[(2-methylpyridine-4-carbonyl)amino]propanoate
CID 106753807
3-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752504
N-(1-aminopentan-2-yl)-5-bromopyridine-3-carboxamide
CID 65191484
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-4-carboxamide
CID 107861142

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-2-yl)-2-methylpyridine-4-carboxamide?
The IUPAC name of N-(1-aminopentan-2-yl)-2-methylpyridine-4-carboxamide (CID 106753662) is N-(1-aminopentan-2-yl)-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(1-aminopentan-2-yl)-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-(1-aminopentan-2-yl)-2-methylpyridine-4-carboxamide is CCCC(CN)NC(=O)c1ccnc(C)c1.
What is the InChIKey of N-(1-aminopentan-2-yl)-2-methylpyridine-4-carboxamide?
The InChIKey is QWPXURLCEQTBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-4-11(8-13)15-12(16)10-5-6-14-9(2)7-10/h5-7,11H,3-4,8,13H2,1-2H3,(H,15,16).
What are the key properties of N-(1-aminopentan-2-yl)-2-methylpyridine-4-carboxamide?
N-(1-aminopentan-2-yl)-2-methylpyridine-4-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-2-yl)-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106753662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).