N-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide

C21H27N3O3 — CID 109204782

IUPACN-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide
SMILESCOc1ccc(CNc2ccnc(C(=O)NC3CCCCC3)c2)cc1OC
InChIInChI=1S/C21H27N3O3/c1-26-19-9-8-15(12-20(19)27-2)14-23-17-10-11-22-18(13-17)21(25)24-16-6-4-3-5-7-16/h8-13,16H,3-7,14H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyCSXQXQBXIGSQNX-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.77
Rot. Bonds7

About N-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide

N-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide (PubChem CID 109204782) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide
PubChem CID109204782
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide
SMILESCOc1ccc(CNc2ccnc(C(=O)NC3CCCCC3)c2)cc1OC
InChIInChI=1S/C21H27N3O3/c1-26-19-9-8-15(12-20(19)27-2)14-23-17-10-11-22-18(13-17)21(25)24-16-6-4-3-5-7-16/h8-13,16H,3-7,14H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyCSXQXQBXIGSQNX-UHFFFAOYSA-N
XLogP3.77
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109204760
N-cycloheptyl-5-[(3,4-dimethoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109285915
N-cyclohexyl-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109166273
[4-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204409
N-cyclopropyl-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109201706
4-(benzylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109209796
N-cyclopentyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109204026
N-cyclohexyl-4-(ethylamino)pyridine-2-carboxamide
CID 62171612
N-cyclohexyl-5-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109182948
N-cyclohexyl-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
CID 109204797
2-N-cyclohexyl-4-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109081613
N-cyclohexyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109342014

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide (CID 109204782) is N-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide is COc1ccc(CNc2ccnc(C(=O)NC3CCCCC3)c2)cc1OC.
What is the InChIKey of N-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide?
The InChIKey is CSXQXQBXIGSQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-26-19-9-8-15(12-20(19)27-2)14-23-17-10-11-22-18(13-17)21(25)24-16-6-4-3-5-7-16/h8-13,16H,3-7,14H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of N-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide?
N-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109204782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).