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

C21H27N3O3 — CID 109166273

IUPACN-cyclohexyl-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide
SMILESCOc1ccc(CNc2cc(C(=O)NC3CCCCC3)ccn2)cc1OC
InChIInChI=1S/C21H27N3O3/c1-26-18-9-8-15(12-19(18)27-2)14-23-20-13-16(10-11-22-20)21(25)24-17-6-4-3-5-7-17/h8-13,17H,3-7,14H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyGOQKGBPXSVSFLH-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.77
Rot. Bonds7

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

N-cyclohexyl-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide (PubChem CID 109166273) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-cyclohexyl-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide
PubChem CID109166273
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-cyclohexyl-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide
SMILESCOc1ccc(CNc2cc(C(=O)NC3CCCCC3)ccn2)cc1OC
InChIInChI=1S/C21H27N3O3/c1-26-18-9-8-15(12-19(18)27-2)14-23-20-13-16(10-11-22-20)21(25)24-17-6-4-3-5-7-17/h8-13,17H,3-7,14H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyGOQKGBPXSVSFLH-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-cycloheptyl-5-[(3,4-dimethoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109285915
N-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109204782
N-cycloheptyl-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109173025
[2-[(3,4-dimethoxyphenyl)methylamino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109173925
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109170648
N-cyclopentyl-2-(ethylamino)pyridine-4-carboxamide
CID 62173243
1-cyclopropyl-3-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]urea
CID 113043387
N-(3,4-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109173957
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
CID 109165743
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
N-cyclohexyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109342014

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide (CID 109166273) is N-cyclohexyl-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide is COc1ccc(CNc2cc(C(=O)NC3CCCCC3)ccn2)cc1OC.
What is the InChIKey of N-cyclohexyl-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide?
The InChIKey is GOQKGBPXSVSFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-26-18-9-8-15(12-19(18)27-2)14-23-20-13-16(10-11-22-20)21(25)24-17-6-4-3-5-7-17/h8-13,17H,3-7,14H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of N-cyclohexyl-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide?
N-cyclohexyl-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-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-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide is sourced from PubChem (CID 109166273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).