N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylbutylamino)pyridine-4-carboxamide

C21H29N3O3 — CID 109173781

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylbutylamino)pyridine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccnc(NCCC(C)C)c2)cc1OC
InChIInChI=1S/C21H29N3O3/c1-15(2)7-10-22-20-14-17(9-12-23-20)21(25)24-11-8-16-5-6-18(26-3)19(13-16)27-4/h5-6,9,12-15H,7-8,10-11H2,1-4H3,(H,22,23)(H,24,25)
InChIKeyGMEJIMUJUCAFFU-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.53
Rot. Bonds10

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylbutylamino)pyridine-4-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylbutylamino)pyridine-4-carboxamide (PubChem CID 109173781) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylbutylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylbutylamino)pyridine-4-carboxamide
PubChem CID109173781
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylbutylamino)pyridine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccnc(NCCC(C)C)c2)cc1OC
InChIInChI=1S/C21H29N3O3/c1-15(2)7-10-22-20-14-17(9-12-23-20)21(25)24-11-8-16-5-6-18(26-3)19(13-16)27-4/h5-6,9,12-15H,7-8,10-11H2,1-4H3,(H,22,23)(H,24,25)
InChIKeyGMEJIMUJUCAFFU-UHFFFAOYSA-N
XLogP3.53
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109173026
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methylbutyl)benzene-1,4-dicarboxamide
CID 109048227
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
CID 109165743
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoroanilino)pyridine-4-carboxamide
CID 109173792
N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
CID 109165735
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112862461
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082174
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide
CID 109151811
2-[2-(4-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 109165659
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109331667
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 109173810
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylbutylamino)pyridine-4-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylbutylamino)pyridine-4-carboxamide (CID 109173781) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylbutylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylbutylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylbutylamino)pyridine-4-carboxamide is COc1ccc(CCNC(=O)c2ccnc(NCCC(C)C)c2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylbutylamino)pyridine-4-carboxamide?
The InChIKey is GMEJIMUJUCAFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-15(2)7-10-22-20-14-17(9-12-23-20)21(25)24-11-8-16-5-6-18(26-3)19(13-16)27-4/h5-6,9,12-15H,7-8,10-11H2,1-4H3,(H,22,23)(H,24,25).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylbutylamino)pyridine-4-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylbutylamino)pyridine-4-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 3.53, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylbutylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109173781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).