N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide

C15H18N4O — CID 9026979

IUPACN-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide
SMILESC/C(=N/NC(=O)c1ccc[nH]1)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H18N4O/c1-11(12-6-8-13(9-7-12)19(2)3)17-18-15(20)14-5-4-10-16-14/h4-10,16H,1-3H3,(H,18,20)/b17-11-
InChIKeyZFNJJAUUIVQIQP-BOPFTXTBSA-N
MW270.34 g/mol
LogP2.23
Rot. Bonds4

About N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide

N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide (PubChem CID 9026979) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide
PubChem CID9026979
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide
SMILESC/C(=N/NC(=O)c1ccc[nH]1)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H18N4O/c1-11(12-6-8-13(9-7-12)19(2)3)17-18-15(20)14-5-4-10-16-14/h4-10,16H,1-3H3,(H,18,20)/b17-11-
InChIKeyZFNJJAUUIVQIQP-BOPFTXTBSA-N
XLogP2.23
TPSA60.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
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-[(Z)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide
CID 9026582
4-[methyl-[4-[(Z)-C-methyl-N-(1H-pyrrole-2-carbonylamino)carbonimidoyl]phenyl]sulfonylamino]butanoic acid
CID 9027332
4-amino-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzamide
CID 135797119
N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-1H-pyrrole-2-carboxamide
CID 9026580
5-[(Z)-C-methyl-N-(1H-pyrrole-2-carbonylamino)carbonimidoyl]thiophene-2-carboxylate
CID 8872528
N-[(E)-1-(3-aminophenyl)ethylideneamino]-4-(dimethylamino)benzamide
CID 5336340
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-1H-pyrrole-2-carboxamide
CID 9025434
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-1H-pyrrole-2-carboxamide
CID 135771089
N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 4284932
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide
CID 9215396
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-1H-pyrrole-2-carboxamide
CID 135771109
N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-1H-pyrrole-2-carboxamide
CID 9026928

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide (CID 9026979) is N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide is C/C(=N/NC(=O)c1ccc[nH]1)c1ccc(N(C)C)cc1.
What is the InChIKey of N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide?
The InChIKey is ZFNJJAUUIVQIQP-BOPFTXTBSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11(12-6-8-13(9-7-12)19(2)3)17-18-15(20)14-5-4-10-16-14/h4-10,16H,1-3H3,(H,18,20)/b17-11-.
What are the key properties of N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide?
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 9026979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).