N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-pyrrole-2-carboxamide

C16H13N3O — CID 9025460

IUPACN-[(Z)-naphthalen-1-ylmethylideneamino]-1H-pyrrole-2-carboxamide
SMILESO=C(N/N=C\c1cccc2ccccc12)c1ccc[nH]1
InChIInChI=1S/C16H13N3O/c20-16(15-9-4-10-17-15)19-18-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-11,17H,(H,19,20)/b18-11-
InChIKeyPCQYYFFSAMGTQV-WQRHYEAKSA-N
MW263.30 g/mol
LogP2.93
Rot. Bonds3

About N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-pyrrole-2-carboxamide

N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-pyrrole-2-carboxamide (PubChem CID 9025460) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-naphthalen-1-ylmethylideneamino]-1H-pyrrole-2-carboxamide
PubChem CID9025460
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC NameN-[(Z)-naphthalen-1-ylmethylideneamino]-1H-pyrrole-2-carboxamide
SMILESO=C(N/N=C\c1cccc2ccccc12)c1ccc[nH]1
InChIInChI=1S/C16H13N3O/c20-16(15-9-4-10-17-15)19-18-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-11,17H,(H,19,20)/b18-11-
InChIKeyPCQYYFFSAMGTQV-WQRHYEAKSA-N
XLogP2.93
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-naphthalen-1-ylmethylideneamino]benzamide
CID 5397614
3-naphthalen-1-yl-N-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 1357967
N-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide
CID 92959506
4-hydroxy-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5406601
N-[(Z)-naphthalen-1-ylmethylideneamino]cyclopropanecarboxamide
CID 5420009
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-phenylacetamide
CID 5407611
1,3-bis(naphthalen-1-ylmethylideneamino)thiourea
CID 5196948
2,5-dihydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide
CID 17126515
N-[(Z)-(4-methylphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 9025710
N-[(E)-naphthalen-1-ylmethylideneamino]-3-phenoxybenzamide
CID 71467467
2-methyl-N-[(Z)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide
CID 5402054
2,4-dichloro-N-(naphthalen-1-ylmethylideneamino)benzamide
CID 5070346

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-pyrrole-2-carboxamide (CID 9025460) is N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-pyrrole-2-carboxamide is O=C(N/N=C\c1cccc2ccccc12)c1ccc[nH]1.
What is the InChIKey of N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-pyrrole-2-carboxamide?
The InChIKey is PCQYYFFSAMGTQV-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H13N3O/c20-16(15-9-4-10-17-15)19-18-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-11,17H,(H,19,20)/b18-11-.
What are the key properties of N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-pyrrole-2-carboxamide?
N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-pyrrole-2-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 9025460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).