4-(3-methylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]butanamide

C17H20N4O — CID 6898309

IUPAC4-(3-methylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]butanamide
SMILESCc1cccc(NCCCC(=O)N/N=C/c2cccnc2)c1
InChIInChI=1S/C17H20N4O/c1-14-5-2-7-16(11-14)19-10-4-8-17(22)21-20-13-15-6-3-9-18-12-15/h2-3,5-7,9,11-13,19H,4,8,10H2,1H3,(H,21,22)/b20-13+
InChIKeyQQAVHBMMORVMPF-DEDYPNTBSA-N
MW296.37 g/mol
LogP2.73
Rot. Bonds7

About 4-(3-methylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]butanamide

4-(3-methylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]butanamide (PubChem CID 6898309) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-(3-methylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]butanamide.

Molecular Properties

Compound Name4-(3-methylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]butanamide
PubChem CID6898309
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name4-(3-methylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]butanamide
SMILESCc1cccc(NCCCC(=O)N/N=C/c2cccnc2)c1
InChIInChI=1S/C17H20N4O/c1-14-5-2-7-16(11-14)19-10-4-8-17(22)21-20-13-15-6-3-9-18-12-15/h2-3,5-7,9,11-13,19H,4,8,10H2,1H3,(H,21,22)/b20-13+
InChIKeyQQAVHBMMORVMPF-DEDYPNTBSA-N
XLogP2.73
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide
CID 4208581
N-(3,4-dimethylphenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide
CID 4039695
N-[(Z)-pyridin-3-ylmethylideneamino]decanamide
CID 6008044
N-[(Z)-pyridin-3-ylmethylideneamino]dodecanamide
CID 6018184
3-(3-methylanilino)-N-(pyridin-2-ylmethylideneamino)propanamide
CID 123310795
N-(benzylideneamino)-4-(4-methylanilino)butanamide
CID 3551130
N-(4-bromophenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide
CID 3988560
4-anilino-N-[(E)-(3-bromophenyl)methylideneamino]butanamide
CID 5331391
2-(3-methoxyphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 19208665
2-(2,5-dimethyl-1H-indol-3-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 5339530
N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]decanamide
CID 6002218
N-[(3-methoxyphenyl)methylideneamino]-4-[[4-[2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide
CID 68900901

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]butanamide?
The IUPAC name of 4-(3-methylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]butanamide (CID 6898309) is 4-(3-methylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]butanamide.
What is the SMILES notation for 4-(3-methylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]butanamide?
The canonical SMILES for 4-(3-methylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]butanamide is Cc1cccc(NCCCC(=O)N/N=C/c2cccnc2)c1.
What is the InChIKey of 4-(3-methylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]butanamide?
The InChIKey is QQAVHBMMORVMPF-DEDYPNTBSA-N. The full InChI is InChI=1S/C17H20N4O/c1-14-5-2-7-16(11-14)19-10-4-8-17(22)21-20-13-15-6-3-9-18-12-15/h2-3,5-7,9,11-13,19H,4,8,10H2,1H3,(H,21,22)/b20-13+.
What are the key properties of 4-(3-methylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]butanamide?
4-(3-methylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]butanamide has a molecular weight of 296.37 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]butanamide is sourced from PubChem (CID 6898309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).