2-chloro-N-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylideneamino]pyridine-3-carboxamide

C18H14Cl2N4O — CID 3969899

IUPAC2-chloro-N-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylideneamino]pyridine-3-carboxamide
SMILESCc1ccc(-n2cccc2C=NNC(=O)c2cccnc2Cl)cc1Cl
InChIInChI=1S/C18H14Cl2N4O/c1-12-6-7-13(10-16(12)19)24-9-3-4-14(24)11-22-23-18(25)15-5-2-8-21-17(15)20/h2-11H,1H3,(H,23,25)
InChIKeyMWGHDFFFVZGNAX-UHFFFAOYSA-N
MW373.24 g/mol
LogP4.25
Rot. Bonds4

About 2-chloro-N-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylideneamino]pyridine-3-carboxamide

2-chloro-N-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylideneamino]pyridine-3-carboxamide (PubChem CID 3969899) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is 2-chloro-N-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylideneamino]pyridine-3-carboxamide
PubChem CID3969899
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC Name2-chloro-N-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylideneamino]pyridine-3-carboxamide
SMILESCc1ccc(-n2cccc2C=NNC(=O)c2cccnc2Cl)cc1Cl
InChIInChI=1S/C18H14Cl2N4O/c1-12-6-7-13(10-16(12)19)24-9-3-4-14(24)11-22-23-18(25)15-5-2-8-21-17(15)20/h2-11H,1H3,(H,23,25)
InChIKeyMWGHDFFFVZGNAX-UHFFFAOYSA-N
XLogP4.25
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'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-[[1-(3-nitrophenyl)pyrrol-2-yl]methylideneamino]pyridine-3-carboxamide
CID 4045024
[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylideneamino]urea
CID 958256
N-[(E)-[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 126015338
3-[2-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid
CID 126092012
2-chloro-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]pyridine-3-carboxamide
CID 50857638
2-bromo-N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]benzamide
CID 6004714
N-[(1-tert-butyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-chloropyridine-3-carboxamide
CID 5041390
2-chloro-N-[(3-methyl-4-morpholin-4-ylphenyl)methylideneamino]pyridine-3-carboxamide
CID 3387256
N-[(Z)-[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylideneamino]-7-methoxy-5-nitro-1-benzofuran-2-carboxamide
CID 126017896
N-[[1-(4-butylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-chloropyridine-3-carboxamide
CID 3414737
ethyl 2-[2,6-dichloro-4-[[(2-chloropyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
CID 3925108
2-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-3-carboxamide
CID 4592443

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylideneamino]pyridine-3-carboxamide (CID 3969899) is 2-chloro-N-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylideneamino]pyridine-3-carboxamide is Cc1ccc(-n2cccc2C=NNC(=O)c2cccnc2Cl)cc1Cl.
What is the InChIKey of 2-chloro-N-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylideneamino]pyridine-3-carboxamide?
The InChIKey is MWGHDFFFVZGNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c1-12-6-7-13(10-16(12)19)24-9-3-4-14(24)11-22-23-18(25)15-5-2-8-21-17(15)20/h2-11H,1H3,(H,23,25).
What are the key properties of 2-chloro-N-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylideneamino]pyridine-3-carboxamide?
2-chloro-N-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylideneamino]pyridine-3-carboxamide has a molecular weight of 373.24 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 3969899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).