2-(4-methylanilino)-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]acetamide

C14H16N4O — CID 135515673

IUPAC2-(4-methylanilino)-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]acetamide
SMILESCc1ccc(NCC(=O)N/N=C\c2ccc[nH]2)cc1
InChIInChI=1S/C14H16N4O/c1-11-4-6-12(7-5-11)16-10-14(19)18-17-9-13-3-2-8-15-13/h2-9,15-16H,10H2,1H3,(H,18,19)/b17-9-
InChIKeyXCVGPTVJJQFRFZ-MFOYZWKCSA-N
MW256.31 g/mol
LogP1.89
Rot. Bonds5

About 2-(4-methylanilino)-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]acetamide

2-(4-methylanilino)-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]acetamide (PubChem CID 135515673) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(4-methylanilino)-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-methylanilino)-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]acetamide
PubChem CID135515673
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-(4-methylanilino)-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]acetamide
SMILESCc1ccc(NCC(=O)N/N=C\c2ccc[nH]2)cc1
InChIInChI=1S/C14H16N4O/c1-11-4-6-12(7-5-11)16-10-14(19)18-17-9-13-3-2-8-15-13/h2-9,15-16H,10H2,1H3,(H,18,19)/b17-9-
InChIKeyXCVGPTVJJQFRFZ-MFOYZWKCSA-N
XLogP1.89
TPSA69.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.89
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylanilino)-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(4-methylanilino)-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]acetamide (CID 135515673) is 2-(4-methylanilino)-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(4-methylanilino)-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(4-methylanilino)-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]acetamide is Cc1ccc(NCC(=O)N/N=C\c2ccc[nH]2)cc1.
What is the InChIKey of 2-(4-methylanilino)-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]acetamide?
The InChIKey is XCVGPTVJJQFRFZ-MFOYZWKCSA-N. The full InChI is InChI=1S/C14H16N4O/c1-11-4-6-12(7-5-11)16-10-14(19)18-17-9-13-3-2-8-15-13/h2-9,15-16H,10H2,1H3,(H,18,19)/b17-9-.
What are the key properties of 2-(4-methylanilino)-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]acetamide?
2-(4-methylanilino)-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]acetamide has a molecular weight of 256.31 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylanilino)-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 135515673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).