N-[(2-chlorophenyl)methyl]-5-(cyclohexylamino)pyridine-2-carboxamide

C19H22ClN3O — CID 109183086

IUPACN-[(2-chlorophenyl)methyl]-5-(cyclohexylamino)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(NC2CCCCC2)cn1
InChIInChI=1S/C19H22ClN3O/c20-17-9-5-4-6-14(17)12-22-19(24)18-11-10-16(13-21-18)23-15-7-2-1-3-8-15/h4-6,9-11,13,15,23H,1-3,7-8,12H2,(H,22,24)
InChIKeyKEBDZOWRLJSKFY-UHFFFAOYSA-N
MW343.86 g/mol
LogP4.41
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-5-(cyclohexylamino)pyridine-2-carboxamide

N-[(2-chlorophenyl)methyl]-5-(cyclohexylamino)pyridine-2-carboxamide (PubChem CID 109183086) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-(cyclohexylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-(cyclohexylamino)pyridine-2-carboxamide
PubChem CID109183086
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC NameN-[(2-chlorophenyl)methyl]-5-(cyclohexylamino)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(NC2CCCCC2)cn1
InChIInChI=1S/C19H22ClN3O/c20-17-9-5-4-6-14(17)12-22-19(24)18-11-10-16(13-21-18)23-15-7-2-1-3-8-15/h4-6,9-11,13,15,23H,1-3,7-8,12H2,(H,22,24)
InChIKeyKEBDZOWRLJSKFY-UHFFFAOYSA-N
XLogP4.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-5-(cyclopentylamino)pyridine-2-carboxamide
CID 109182452
N-[(2-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide
CID 109201907
N-[(2-chlorophenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185117
5-(cyclohexylamino)-N-phenylpyridine-2-carboxamide
CID 109183141
5-[(2-chlorophenyl)methylamino]-N-cyclopropylpyridine-2-carboxamide
CID 109179863
N-[(2-chlorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 109179268
5-(cyclopentylamino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109182359
5-(cycloheptylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181080
5-(cyclohexylamino)-N-(3,4-dichlorophenyl)pyridine-2-carboxamide
CID 109183218
5-(cyclopentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109182409
5-(cyclohexylamino)-N-cyclopropylpyridine-2-carboxamide
CID 109179840
5-(cyclopentylamino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180232

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-(cyclohexylamino)pyridine-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-(cyclohexylamino)pyridine-2-carboxamide (CID 109183086) is N-[(2-chlorophenyl)methyl]-5-(cyclohexylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-(cyclohexylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-(cyclohexylamino)pyridine-2-carboxamide is O=C(NCc1ccccc1Cl)c1ccc(NC2CCCCC2)cn1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-(cyclohexylamino)pyridine-2-carboxamide?
The InChIKey is KEBDZOWRLJSKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c20-17-9-5-4-6-14(17)12-22-19(24)18-11-10-16(13-21-18)23-15-7-2-1-3-8-15/h4-6,9-11,13,15,23H,1-3,7-8,12H2,(H,22,24).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-(cyclohexylamino)pyridine-2-carboxamide?
N-[(2-chlorophenyl)methyl]-5-(cyclohexylamino)pyridine-2-carboxamide has a molecular weight of 343.86 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-(cyclohexylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109183086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).