N-cyclohexyl-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide

C20H25N3O2 — CID 109204760

IUPACN-cyclohexyl-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
SMILESCOc1ccc(CNc2ccnc(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C20H25N3O2/c1-25-18-9-7-15(8-10-18)14-22-17-11-12-21-19(13-17)20(24)23-16-5-3-2-4-6-16/h7-13,16H,2-6,14H2,1H3,(H,21,22)(H,23,24)
InChIKeyGJRCIJJSXDAHQC-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.76
Rot. Bonds6

About N-cyclohexyl-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide

N-cyclohexyl-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide (PubChem CID 109204760) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-cyclohexyl-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
PubChem CID109204760
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-cyclohexyl-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
SMILESCOc1ccc(CNc2ccnc(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C20H25N3O2/c1-25-18-9-7-15(8-10-18)14-22-17-11-12-21-19(13-17)20(24)23-16-5-3-2-4-6-16/h7-13,16H,2-6,14H2,1H3,(H,21,22)(H,23,24)
InChIKeyGJRCIJJSXDAHQC-UHFFFAOYSA-N
XLogP3.76
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109204026
N-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109204782
N-cyclohexyl-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
CID 109204797
2-N-cyclohexyl-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109081527
N-cyclopropyl-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109201706
N-cycloheptyl-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214453
N-cyclohexyl-4-(ethylamino)pyridine-2-carboxamide
CID 62171612
N-cyclopropyl-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109179866
4-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109204933
4-[(4-chlorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211857
N-cyclopentyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109112291
4-N-cyclohexyl-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109081392

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N-cyclohexyl-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide (CID 109204760) is N-cyclohexyl-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide is COc1ccc(CNc2ccnc(C(=O)NC3CCCCC3)c2)cc1.
What is the InChIKey of N-cyclohexyl-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide?
The InChIKey is GJRCIJJSXDAHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-25-18-9-7-15(8-10-18)14-22-17-11-12-21-19(13-17)20(24)23-16-5-3-2-4-6-16/h7-13,16H,2-6,14H2,1H3,(H,21,22)(H,23,24).
What are the key properties of N-cyclohexyl-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide?
N-cyclohexyl-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109204760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).