2-methyl-N-(pentan-3-ylideneamino)pyridine-4-carboxamide

C12H17N3O — CID 121001993

IUPAC2-methyl-N-(pentan-3-ylideneamino)pyridine-4-carboxamide
SMILESCCC(CC)=NNC(=O)c1ccnc(C)c1
InChIInChI=1S/C12H17N3O/c1-4-11(5-2)14-15-12(16)10-6-7-13-9(3)8-10/h6-8H,4-5H2,1-3H3,(H,15,16)
InChIKeyFRMSSBNMMOWGKH-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.30
Rot. Bonds4

About 2-methyl-N-(pentan-3-ylideneamino)pyridine-4-carboxamide

2-methyl-N-(pentan-3-ylideneamino)pyridine-4-carboxamide (PubChem CID 121001993) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-methyl-N-(pentan-3-ylideneamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(pentan-3-ylideneamino)pyridine-4-carboxamide
PubChem CID121001993
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-methyl-N-(pentan-3-ylideneamino)pyridine-4-carboxamide
SMILESCCC(CC)=NNC(=O)c1ccnc(C)c1
InChIInChI=1S/C12H17N3O/c1-4-11(5-2)14-15-12(16)10-6-7-13-9(3)8-10/h6-8H,4-5H2,1-3H3,(H,15,16)
InChIKeyFRMSSBNMMOWGKH-UHFFFAOYSA-N
XLogP2.30
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(butan-2-ylideneamino)-2-methylpyridine-4-carboxamide
CID 74329809
2-[(2-methylpyridine-4-carbonyl)hydrazinylidene]pentanedioic acid
CID 3028423
N,2-dimethylpyridine-4-carboxamide;ethane
CID 143416894
N-(pentan-3-ylideneamino)benzamide
CID 4611553
2-methyl-N-(2-methylpropylideneamino)pyridine-4-carboxamide
CID 74935568
N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-4-carboxamide
CID 106753467
2-methyl-N-(1-naphthalen-2-ylethylideneamino)pyridine-4-carboxamide
CID 174219694
dichloromethane;2-methylpyridine-4-carbohydrazide
CID 157362616
N-[2-(ethylamino)ethyl]-2-methylpyridine-4-carboxamide
CID 106753602
3-methylidene-1-(2-methyl-4-pyridinyl)pentan-1-one
CID 106754699
N-[(2R)-2-hydroxybutyl]-2-methylpyridine-4-carboxamide
CID 130260711
N-(2-ethyl-2-hydroxybutyl)-2-methylpyridine-4-carboxamide
CID 106753405

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pentan-3-ylideneamino)pyridine-4-carboxamide?
The IUPAC name of 2-methyl-N-(pentan-3-ylideneamino)pyridine-4-carboxamide (CID 121001993) is 2-methyl-N-(pentan-3-ylideneamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(pentan-3-ylideneamino)pyridine-4-carboxamide?
The canonical SMILES for 2-methyl-N-(pentan-3-ylideneamino)pyridine-4-carboxamide is CCC(CC)=NNC(=O)c1ccnc(C)c1.
What is the InChIKey of 2-methyl-N-(pentan-3-ylideneamino)pyridine-4-carboxamide?
The InChIKey is FRMSSBNMMOWGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-4-11(5-2)14-15-12(16)10-6-7-13-9(3)8-10/h6-8H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-N-(pentan-3-ylideneamino)pyridine-4-carboxamide?
2-methyl-N-(pentan-3-ylideneamino)pyridine-4-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(pentan-3-ylideneamino)pyridine-4-carboxamide is sourced from PubChem (CID 121001993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).