5-(cycloheptylamino)-N-(2,4-dichlorophenyl)pyridine-3-carboxamide

C19H21Cl2N3O — CID 109239662

IUPAC5-(cycloheptylamino)-N-(2,4-dichlorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cncc(NC2CCCCCC2)c1
InChIInChI=1S/C19H21Cl2N3O/c20-14-7-8-18(17(21)10-14)24-19(25)13-9-16(12-22-11-13)23-15-5-3-1-2-4-6-15/h7-12,15,23H,1-6H2,(H,24,25)
InChIKeyDWGFMDDHQJHQPA-UHFFFAOYSA-N
MW378.30 g/mol
LogP5.78
Rot. Bonds4

About 5-(cycloheptylamino)-N-(2,4-dichlorophenyl)pyridine-3-carboxamide

5-(cycloheptylamino)-N-(2,4-dichlorophenyl)pyridine-3-carboxamide (PubChem CID 109239662) has the molecular formula C19H21Cl2N3O and a molecular weight of 378.30 g/mol. Its IUPAC name is 5-(cycloheptylamino)-N-(2,4-dichlorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(cycloheptylamino)-N-(2,4-dichlorophenyl)pyridine-3-carboxamide
PubChem CID109239662
Molecular FormulaC19H21Cl2N3O
Molecular Weight378.30 g/mol
Exact Mass377.11
IUPAC Name5-(cycloheptylamino)-N-(2,4-dichlorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cncc(NC2CCCCCC2)c1
InChIInChI=1S/C19H21Cl2N3O/c20-14-7-8-18(17(21)10-14)24-19(25)13-9-16(12-22-11-13)23-15-5-3-1-2-4-6-15/h7-12,15,23H,1-6H2,(H,24,25)
InChIKeyDWGFMDDHQJHQPA-UHFFFAOYSA-N
XLogP5.78
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.30
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-5-(cyclopentylamino)pyridine-3-carboxamide
CID 109226175
N-(5-chloro-2-methoxyphenyl)-5-(cyclopentylamino)pyridine-3-carboxamide
CID 109226185
5-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyridine-3-carboxamide
CID 109226240
N-(4-chloro-2,5-dimethoxyphenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226984
N-(2,4-dichlorophenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223536
5-(cycloheptylamino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 109239634
5-(cyclohexylamino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 109226939
N-(4-bromophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226928
1-N-cyclopentyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109044538
5-(cyclopropylamino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 109223922
3-N-(4-chloro-2-methylphenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide
CID 109103094
6-(cyclohexylamino)-N-(2,4-dichlorophenyl)pyridazine-3-carboxamide
CID 109112961

Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptylamino)-N-(2,4-dichlorophenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(cycloheptylamino)-N-(2,4-dichlorophenyl)pyridine-3-carboxamide (CID 109239662) is 5-(cycloheptylamino)-N-(2,4-dichlorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(cycloheptylamino)-N-(2,4-dichlorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(cycloheptylamino)-N-(2,4-dichlorophenyl)pyridine-3-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)c1cncc(NC2CCCCCC2)c1.
What is the InChIKey of 5-(cycloheptylamino)-N-(2,4-dichlorophenyl)pyridine-3-carboxamide?
The InChIKey is DWGFMDDHQJHQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O/c20-14-7-8-18(17(21)10-14)24-19(25)13-9-16(12-22-11-13)23-15-5-3-1-2-4-6-15/h7-12,15,23H,1-6H2,(H,24,25).
What are the key properties of 5-(cycloheptylamino)-N-(2,4-dichlorophenyl)pyridine-3-carboxamide?
5-(cycloheptylamino)-N-(2,4-dichlorophenyl)pyridine-3-carboxamide has a molecular weight of 378.30 g/mol, XLogP of 5.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptylamino)-N-(2,4-dichlorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109239662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).