N-[(3,4-dimethoxyphenyl)methyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide

C22H29N3O3 — CID 109173883

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide
SMILESCCC1CCCCN1c1cc(C(=O)NCc2ccc(OC)c(OC)c2)ccn1
InChIInChI=1S/C22H29N3O3/c1-4-18-7-5-6-12-25(18)21-14-17(10-11-23-21)22(26)24-15-16-8-9-19(27-2)20(13-16)28-3/h8-11,13-14,18H,4-7,12,15H2,1-3H3,(H,24,26)
InChIKeyXGHZXFQKYFVEHI-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.80
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide (PubChem CID 109173883) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide
PubChem CID109173883
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide
SMILESCCC1CCCCN1c1cc(C(=O)NCc2ccc(OC)c(OC)c2)ccn1
InChIInChI=1S/C22H29N3O3/c1-4-18-7-5-6-12-25(18)21-14-17(10-11-23-21)22(26)24-15-16-8-9-19(27-2)20(13-16)28-3/h8-11,13-14,18H,4-7,12,15H2,1-3H3,(H,24,26)
InChIKeyXGHZXFQKYFVEHI-UHFFFAOYSA-N
XLogP3.80
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide
CID 109175691
2-(2-ethylpiperidin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109174906
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112862577
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109123335
2-(2-ethylpiperidine-1-carbonyl)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109086886
2-[(2R)-2-ethylpyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 93394486
N-[4-(dimethylamino)phenyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide
CID 109175704
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-ethylpiperidin-1-yl)propanamide
CID 109028142
1-[2-(2-ethylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 55054433
N-[(4-chlorophenyl)methyl]-6-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109156994
4-(difluoromethoxy)-3-methoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 52554684
N-[(3,4-dimethoxyphenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111768

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide (CID 109173883) is N-[(3,4-dimethoxyphenyl)methyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide is CCC1CCCCN1c1cc(C(=O)NCc2ccc(OC)c(OC)c2)ccn1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide?
The InChIKey is XGHZXFQKYFVEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-4-18-7-5-6-12-25(18)21-14-17(10-11-23-21)22(26)24-15-16-8-9-19(27-2)20(13-16)28-3/h8-11,13-14,18H,4-7,12,15H2,1-3H3,(H,24,26).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 109173883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).