2-chloro-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]pyridine-3-carboxamide

C19H17ClN4O2 — CID 50857638

IUPAC2-chloro-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]pyridine-3-carboxamide
SMILESCOc1ccc(-n2cc(/C=N\NC(=O)c3cccnc3Cl)cc2C)cc1
InChIInChI=1S/C19H17ClN4O2/c1-13-10-14(12-24(13)15-5-7-16(26-2)8-6-15)11-22-23-19(25)17-4-3-9-21-18(17)20/h3-12H,1-2H3,(H,23,25)/b22-11-
InChIKeyANWHKGKWAKJDJY-JJFYIABZSA-N
MW368.82 g/mol
LogP3.61
Rot. Bonds5

About 2-chloro-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]pyridine-3-carboxamide

2-chloro-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]pyridine-3-carboxamide (PubChem CID 50857638) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]pyridine-3-carboxamide
PubChem CID50857638
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name2-chloro-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]pyridine-3-carboxamide
SMILESCOc1ccc(-n2cc(/C=N\NC(=O)c3cccnc3Cl)cc2C)cc1
InChIInChI=1S/C19H17ClN4O2/c1-13-10-14(12-24(13)15-5-7-16(26-2)8-6-15)11-22-23-19(25)17-4-3-9-21-18(17)20/h3-12H,1-2H3,(H,23,25)/b22-11-
InChIKeyANWHKGKWAKJDJY-JJFYIABZSA-N
XLogP3.61
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

2-chloro-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]-4-methylbenzamide
CID 50857637
N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]-2-pyrrol-1-ylbenzamide
CID 50857678
4-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]benzamide
CID 50857660
2-chloro-N-[3-(4-methoxyphenyl)prop-2-enylideneamino]pyridine-3-carboxamide
CID 4656498
[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]thiourea
CID 50857651
2-(3-methoxyphenyl)-N-[(E)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]acetamide
CID 50857597
2-methoxy-4-methyl-N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]benzamide
CID 50857495
2-chloro-4-methyl-N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]benzamide
CID 50857524
N-[(1-tert-butyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-chloropyridine-3-carboxamide
CID 5041390
2-chloro-N-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylideneamino]pyridine-3-carboxamide
CID 3969899
2-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-3-carboxamide
CID 4592443
ethyl 2-[2,6-dichloro-4-[[(2-chloropyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
CID 3925108

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]pyridine-3-carboxamide (CID 50857638) is 2-chloro-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]pyridine-3-carboxamide is COc1ccc(-n2cc(/C=N\NC(=O)c3cccnc3Cl)cc2C)cc1.
What is the InChIKey of 2-chloro-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]pyridine-3-carboxamide?
The InChIKey is ANWHKGKWAKJDJY-JJFYIABZSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-13-10-14(12-24(13)15-5-7-16(26-2)8-6-15)11-22-23-19(25)17-4-3-9-21-18(17)20/h3-12H,1-2H3,(H,23,25)/b22-11-.
What are the key properties of 2-chloro-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]pyridine-3-carboxamide?
2-chloro-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]pyridine-3-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 50857638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).