2-methyl-N-(pyridin-4-ylmethylideneamino)propanamide

C10H13N3O — CID 54421020

IUPAC2-methyl-N-(pyridin-4-ylmethylideneamino)propanamide
SMILESCC(C)C(=O)NN=Cc1ccncc1
InChIInChI=1S/C10H13N3O/c1-8(2)10(14)13-12-7-9-3-5-11-6-4-9/h3-8H,1-2H3,(H,13,14)
InChIKeyWAUNORAOQDDCFQ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.19
Rot. Bonds3

About 2-methyl-N-(pyridin-4-ylmethylideneamino)propanamide

2-methyl-N-(pyridin-4-ylmethylideneamino)propanamide (PubChem CID 54421020) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-methyl-N-(pyridin-4-ylmethylideneamino)propanamide.

Molecular Properties

Compound Name2-methyl-N-(pyridin-4-ylmethylideneamino)propanamide
PubChem CID54421020
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-methyl-N-(pyridin-4-ylmethylideneamino)propanamide
SMILESCC(C)C(=O)NN=Cc1ccncc1
InChIInChI=1S/C10H13N3O/c1-8(2)10(14)13-12-7-9-3-5-11-6-4-9/h3-8H,1-2H3,(H,13,14)
InChIKeyWAUNORAOQDDCFQ-UHFFFAOYSA-N
XLogP1.19
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.19
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

1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea
CID 54600785
2-(4-chloroanilino)-N-(pyridin-4-ylmethylideneamino)propanamide
CID 5081987
[(E)-pyridin-4-ylmethylideneamino]carbamic acid
CID 19830229
[(E)-pyridin-4-ylmethylideneamino]carbamic acid;hydrate
CID 88512822
(2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethylideneamino)propanamide
CID 706908
(2S)-2-(4-chlorophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
CID 5396013
N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
CID 29172527
2-amino-N-(pyridin-4-ylmethylideneamino)acetamide;hydrochloride
CID 173367886
2,4-dichloro-N-[3-methyl-1-oxo-1-[2-(pyridin-4-ylmethylidene)hydrazinyl]butan-2-yl]benzamide
CID 4277524
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[(E)-pyridin-4-ylmethylideneamino]propanamide
CID 110511018
ethyl N-[(E)-pyridin-4-ylmethylideneamino]carbamate
CID 5365476
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pyridin-4-ylmethylideneamino)propanamide?
The IUPAC name of 2-methyl-N-(pyridin-4-ylmethylideneamino)propanamide (CID 54421020) is 2-methyl-N-(pyridin-4-ylmethylideneamino)propanamide.
What is the SMILES notation for 2-methyl-N-(pyridin-4-ylmethylideneamino)propanamide?
The canonical SMILES for 2-methyl-N-(pyridin-4-ylmethylideneamino)propanamide is CC(C)C(=O)NN=Cc1ccncc1.
What is the InChIKey of 2-methyl-N-(pyridin-4-ylmethylideneamino)propanamide?
The InChIKey is WAUNORAOQDDCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-8(2)10(14)13-12-7-9-3-5-11-6-4-9/h3-8H,1-2H3,(H,13,14).
What are the key properties of 2-methyl-N-(pyridin-4-ylmethylideneamino)propanamide?
2-methyl-N-(pyridin-4-ylmethylideneamino)propanamide has a molecular weight of 191.23 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(pyridin-4-ylmethylideneamino)propanamide is sourced from PubChem (CID 54421020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).