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

C15H15ClN4O — CID 5081987

IUPAC2-(4-chloroanilino)-N-(pyridin-4-ylmethylideneamino)propanamide
SMILESCC(Nc1ccc(Cl)cc1)C(=O)NN=Cc1ccncc1
InChIInChI=1S/C15H15ClN4O/c1-11(19-14-4-2-13(16)3-5-14)15(21)20-18-10-12-6-8-17-9-7-12/h2-11,19H,1H3,(H,20,21)
InChIKeyZFMAOXLIWRLGKN-UHFFFAOYSA-N
MW302.77 g/mol
LogP2.69
Rot. Bonds5

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

2-(4-chloroanilino)-N-(pyridin-4-ylmethylideneamino)propanamide (PubChem CID 5081987) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-(pyridin-4-ylmethylideneamino)propanamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-(pyridin-4-ylmethylideneamino)propanamide
PubChem CID5081987
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name2-(4-chloroanilino)-N-(pyridin-4-ylmethylideneamino)propanamide
SMILESCC(Nc1ccc(Cl)cc1)C(=O)NN=Cc1ccncc1
InChIInChI=1S/C15H15ClN4O/c1-11(19-14-4-2-13(16)3-5-14)15(21)20-18-10-12-6-8-17-9-7-12/h2-11,19H,1H3,(H,20,21)
InChIKeyZFMAOXLIWRLGKN-UHFFFAOYSA-N
XLogP2.69
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(4-bromoanilino)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 71960153
(2S)-2-(4-chlorophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
CID 5396013
(2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethylideneamino)propanamide
CID 706908
2-methyl-N-(pyridin-4-ylmethylideneamino)propanamide
CID 54421020
(2S)-2-(4-chloroanilino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]propanamide
CID 5403140
2-(4-chloroanilino)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide
CID 2863483
2-(4-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135821532
N-[(4-chlorophenyl)methylideneamino]-2-(2,6-dimethylanilino)propanamide
CID 3089265
(2R)-2-(4-chloroanilino)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide
CID 40516210
(2R)-2-(3,4-dichloroanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide
CID 7072993
(2R)-2-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]propanamide
CID 840626
2,4-dichloro-N-[3-methyl-1-oxo-1-[2-(pyridin-4-ylmethylidene)hydrazinyl]butan-2-yl]benzamide
CID 4277524

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-(pyridin-4-ylmethylideneamino)propanamide?
The IUPAC name of 2-(4-chloroanilino)-N-(pyridin-4-ylmethylideneamino)propanamide (CID 5081987) is 2-(4-chloroanilino)-N-(pyridin-4-ylmethylideneamino)propanamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-(pyridin-4-ylmethylideneamino)propanamide?
The canonical SMILES for 2-(4-chloroanilino)-N-(pyridin-4-ylmethylideneamino)propanamide is CC(Nc1ccc(Cl)cc1)C(=O)NN=Cc1ccncc1.
What is the InChIKey of 2-(4-chloroanilino)-N-(pyridin-4-ylmethylideneamino)propanamide?
The InChIKey is ZFMAOXLIWRLGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-11(19-14-4-2-13(16)3-5-14)15(21)20-18-10-12-6-8-17-9-7-12/h2-11,19H,1H3,(H,20,21).
What are the key properties of 2-(4-chloroanilino)-N-(pyridin-4-ylmethylideneamino)propanamide?
2-(4-chloroanilino)-N-(pyridin-4-ylmethylideneamino)propanamide has a molecular weight of 302.77 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-N-(pyridin-4-ylmethylideneamino)propanamide is sourced from PubChem (CID 5081987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).