N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide

C20H27N3O3 — CID 109151811

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(NCC(C)C)nc2)cc1OC
InChIInChI=1S/C20H27N3O3/c1-14(2)12-22-19-8-6-16(13-23-19)20(24)21-10-9-15-5-7-17(25-3)18(11-15)26-4/h5-8,11,13-14H,9-10,12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyIGWHNFFREHKHNK-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.14
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide (PubChem CID 109151811) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide
PubChem CID109151811
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(NCC(C)C)nc2)cc1OC
InChIInChI=1S/C20H27N3O3/c1-14(2)12-22-19-8-6-16(13-23-19)20(24)21-10-9-15-5-7-17(25-3)18(11-15)26-4/h5-8,11,13-14H,9-10,12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyIGWHNFFREHKHNK-UHFFFAOYSA-N
XLogP3.14
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1447920
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 109153751
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methylbutyl)benzene-1,4-dicarboxamide
CID 109048227
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 1432044
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylbutylamino)pyridine-4-carboxamide
CID 109173781
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248678
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methylpropyl)oxamide
CID 3102524
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
CID 109165743
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
6-(2-methylpropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109151861
N-[2-(2,4-dichlorophenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide
CID 109151833
N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110755852

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide (CID 109151811) is N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide is COc1ccc(CCNC(=O)c2ccc(NCC(C)C)nc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide?
The InChIKey is IGWHNFFREHKHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14(2)12-22-19-8-6-16(13-23-19)20(24)21-10-9-15-5-7-17(25-3)18(11-15)26-4/h5-8,11,13-14H,9-10,12H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 3.14, 9 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]-6-(2-methylpropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109151811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).