4-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide

C20H27N3O3 — CID 109202900

IUPAC4-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCOc1ccc(CCNc2ccnc(C(=O)NCC(C)C)c2)cc1OC
InChIInChI=1S/C20H27N3O3/c1-14(2)13-23-20(24)17-12-16(8-10-22-17)21-9-7-15-5-6-18(25-3)19(11-15)26-4/h5-6,8,10-12,14H,7,9,13H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyCXMXIZMVYDMVSV-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.14
Rot. Bonds9

About 4-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide

4-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide (PubChem CID 109202900) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 4-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
PubChem CID109202900
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name4-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCOc1ccc(CCNc2ccnc(C(=O)NCC(C)C)c2)cc1OC
InChIInChI=1S/C20H27N3O3/c1-14(2)13-23-20(24)17-12-16(8-10-22-17)21-9-7-15-5-6-18(25-3)19(11-15)26-4/h5-6,8,10-12,14H,7,9,13H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyCXMXIZMVYDMVSV-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

4-[2-(4-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202891
[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206428
4-[2-(3-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202931
[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109208435
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-methylanilino)pyridine-2-carboxamide
CID 109215403
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methylpropyl)oxamide
CID 3102524
4-(benzylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109209796
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214179
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082174
N-(2-methoxyethyl)-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203048
N-benzyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109209634
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluoroanilino)pyridine-2-carboxamide
CID 109215529

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide?
The IUPAC name of 4-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide (CID 109202900) is 4-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide is COc1ccc(CCNc2ccnc(C(=O)NCC(C)C)c2)cc1OC.
What is the InChIKey of 4-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide?
The InChIKey is CXMXIZMVYDMVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14(2)13-23-20(24)17-12-16(8-10-22-17)21-9-7-15-5-6-18(25-3)19(11-15)26-4/h5-6,8,10-12,14H,7,9,13H2,1-4H3,(H,21,22)(H,23,24).
What are the key properties of 4-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide?
4-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-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 4-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109202900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).