N-(1-aminoethyl)-3-methylpyridine-2-carboxamide

C9H13N3O — CID 173067121

IUPACN-(1-aminoethyl)-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NC(C)N
InChIInChI=1S/C9H13N3O/c1-6-4-3-5-11-8(6)9(13)12-7(2)10/h3-5,7H,10H2,1-2H3,(H,12,13)
InChIKeyBJIBCKUMUDIJNY-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.42
Rot. Bonds2

About N-(1-aminoethyl)-3-methylpyridine-2-carboxamide

N-(1-aminoethyl)-3-methylpyridine-2-carboxamide (PubChem CID 173067121) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-(1-aminoethyl)-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-aminoethyl)-3-methylpyridine-2-carboxamide
PubChem CID173067121
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-(1-aminoethyl)-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NC(C)N
InChIInChI=1S/C9H13N3O/c1-6-4-3-5-11-8(6)9(13)12-7(2)10/h3-5,7H,10H2,1-2H3,(H,12,13)
InChIKeyBJIBCKUMUDIJNY-UHFFFAOYSA-N
XLogP0.42
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(1-hydroxypropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62341368
N-(1-amino-1-sulfanylidenepropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62339475
N-(4-aminobutan-2-yl)-3-methylpyridine-2-carboxamide
CID 62340960
N-(4-hydroxybutan-2-yl)-3-methylpyridine-2-carboxamide
CID 115283439
(2R)-3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 79011144
(2S,3R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 94402027
methyl 4-methyl-2-[(3-methylpyridine-2-carbonyl)amino]pentanoate
CID 62338800
N-(1-bromo-4-methylpentan-2-yl)-3-methylpyridine-2-carboxamide
CID 114311647
N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methylpyridine-2-carboxamide
CID 76940244
N-[(2S)-1-hydroxybutan-2-yl]-3-methylpyridine-2-carboxamide
CID 104981219
(2R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]propanoic acid
CID 80750927
3-methyl-N-[1-(5-methyl-2-pyridinyl)ethyl]pyridine-2-carboxamide
CID 91771821

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethyl)-3-methylpyridine-2-carboxamide?
The IUPAC name of N-(1-aminoethyl)-3-methylpyridine-2-carboxamide (CID 173067121) is N-(1-aminoethyl)-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(1-aminoethyl)-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-(1-aminoethyl)-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)NC(C)N.
What is the InChIKey of N-(1-aminoethyl)-3-methylpyridine-2-carboxamide?
The InChIKey is BJIBCKUMUDIJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-4-3-5-11-8(6)9(13)12-7(2)10/h3-5,7H,10H2,1-2H3,(H,12,13).
What are the key properties of N-(1-aminoethyl)-3-methylpyridine-2-carboxamide?
N-(1-aminoethyl)-3-methylpyridine-2-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethyl)-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 173067121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).