N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-1H-pyrrole-2-carboxamide

C17H18N4O2 — CID 9026741

IUPACN-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-1H-pyrrole-2-carboxamide
SMILESCc1cc(/C=N\NC(=O)c2ccc[nH]2)c(C)n1Cc1ccco1
InChIInChI=1S/C17H18N4O2/c1-12-9-14(10-19-20-17(22)16-6-3-7-18-16)13(2)21(12)11-15-5-4-8-23-15/h3-10,18H,11H2,1-2H3,(H,20,22)/b19-10-
InChIKeyGABAJUTWVKDDNM-GRSHGNNSSA-N
MW310.36 g/mol
LogP2.84
Rot. Bonds5

About N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-1H-pyrrole-2-carboxamide

N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-1H-pyrrole-2-carboxamide (PubChem CID 9026741) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-1H-pyrrole-2-carboxamide
PubChem CID9026741
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-1H-pyrrole-2-carboxamide
SMILESCc1cc(/C=N\NC(=O)c2ccc[nH]2)c(C)n1Cc1ccco1
InChIInChI=1S/C17H18N4O2/c1-12-9-14(10-19-20-17(22)16-6-3-7-18-16)13(2)21(12)11-15-5-4-8-23-15/h3-10,18H,11H2,1-2H3,(H,20,22)/b19-10-
InChIKeyGABAJUTWVKDDNM-GRSHGNNSSA-N
XLogP2.84
TPSA75.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.84
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-fluoro-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide
CID 9235662
N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-methylaniline
CID 9059330
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 9258036
1-(3,4-dimethoxyphenyl)-3-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]thiourea
CID 9216259
ethyl 4-[2,5-dimethyl-3-[(Z)-(1H-pyrrole-2-carbonylhydrazinylidene)methyl]pyrrol-1-yl]benzoate
CID 9026025
N-[(Z)-(4-methylphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 9025710
N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 30683396
N'-[(E)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 18206227
N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-pyrrole-2-carboxamide
CID 9025460
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7129212
N-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]furan-2-carboxamide
CID 126002888
N,N-diethyl-4-[[(E)-3-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoyl]amino]benzamide
CID 8503780

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-1H-pyrrole-2-carboxamide (CID 9026741) is N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-1H-pyrrole-2-carboxamide is Cc1cc(/C=N\NC(=O)c2ccc[nH]2)c(C)n1Cc1ccco1.
What is the InChIKey of N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-1H-pyrrole-2-carboxamide?
The InChIKey is GABAJUTWVKDDNM-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12-9-14(10-19-20-17(22)16-6-3-7-18-16)13(2)21(12)11-15-5-4-8-23-15/h3-10,18H,11H2,1-2H3,(H,20,22)/b19-10-.
What are the key properties of N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-1H-pyrrole-2-carboxamide?
N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-1H-pyrrole-2-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 9026741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).