2-chloro-N-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]pyridine-3-carboxamide

C23H18Cl2N4O — CID 3637449

IUPAC2-chloro-N-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]pyridine-3-carboxamide
SMILESCc1c(C=NNC(=O)c2cccnc2Cl)c2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C23H18Cl2N4O/c1-15-20(13-27-28-23(30)19-6-4-12-26-22(19)25)18-5-2-3-7-21(18)29(15)14-16-8-10-17(24)11-9-16/h2-13H,14H2,1H3,(H,28,30)
InChIKeyGZZYOZYPMBWEAQ-UHFFFAOYSA-N
MW437.33 g/mol
LogP5.46
Rot. Bonds5

About 2-chloro-N-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]pyridine-3-carboxamide

2-chloro-N-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]pyridine-3-carboxamide (PubChem CID 3637449) has the molecular formula C23H18Cl2N4O and a molecular weight of 437.33 g/mol. Its IUPAC name is 2-chloro-N-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]pyridine-3-carboxamide
PubChem CID3637449
Molecular FormulaC23H18Cl2N4O
Molecular Weight437.33 g/mol
Exact Mass436.09
IUPAC Name2-chloro-N-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]pyridine-3-carboxamide
SMILESCc1c(C=NNC(=O)c2cccnc2Cl)c2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C23H18Cl2N4O/c1-15-20(13-27-28-23(30)19-6-4-12-26-22(19)25)18-5-2-3-7-21(18)29(15)14-16-8-10-17(24)11-9-16/h2-13H,14H2,1H3,(H,28,30)
InChIKeyGZZYOZYPMBWEAQ-UHFFFAOYSA-N
XLogP5.46
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.33
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-chloro-N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]benzamide
CID 126376160
N-[(E)-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126044502
2-bromo-N-[(E)-[1-[(4-iodophenyl)methyl]-2-methylindol-3-yl]methylideneamino]benzamide
CID 17245541
1-[(4-chlorophenyl)methyl]-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524186
2-chloro-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]pyridine-3-carboxamide
CID 5125283
2,4-dichloro-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
CID 126375327
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide
CID 46501991
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide
CID 4615384
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-bromobenzamide
CID 3382244
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]thiophene-2-carboxamide
CID 4299532
2-(4-chlorophenyl)-N-[(E)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide
CID 21379856
2-amino-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
CID 110512126

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]pyridine-3-carboxamide (CID 3637449) is 2-chloro-N-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]pyridine-3-carboxamide is Cc1c(C=NNC(=O)c2cccnc2Cl)c2ccccc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-N-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]pyridine-3-carboxamide?
The InChIKey is GZZYOZYPMBWEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N4O/c1-15-20(13-27-28-23(30)19-6-4-12-26-22(19)25)18-5-2-3-7-21(18)29(15)14-16-8-10-17(24)11-9-16/h2-13H,14H2,1H3,(H,28,30).
What are the key properties of 2-chloro-N-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]pyridine-3-carboxamide?
2-chloro-N-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]pyridine-3-carboxamide has a molecular weight of 437.33 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 3637449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).