N-(3,4-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide

C19H25N3O3 — CID 109195662

IUPACN-(3,4-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(NCCC(C)C)cn2)cc1OC
InChIInChI=1S/C19H25N3O3/c1-13(2)9-10-20-15-5-7-16(21-12-15)19(23)22-14-6-8-17(24-3)18(11-14)25-4/h5-8,11-13,20H,9-10H2,1-4H3,(H,22,23)
InChIKeyNHYRYMSGOWZZCV-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.81
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide

N-(3,4-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide (PubChem CID 109195662) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
PubChem CID109195662
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-(3,4-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(NCCC(C)C)cn2)cc1OC
InChIInChI=1S/C19H25N3O3/c1-13(2)9-10-20-15-5-7-16(21-12-15)19(23)22-14-6-8-17(24-3)18(11-14)25-4/h5-8,11-13,20H,9-10H2,1-4H3,(H,22,23)
InChIKeyNHYRYMSGOWZZCV-UHFFFAOYSA-N
XLogP3.81
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125202
N-(3,4-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195700
N-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109192451
N-(3-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195666
N-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190530
N-(2-methoxyethyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109183892
N-(4-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195667
5-(3-methylbutylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109195665
N-(3,4-dimethoxyphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111097
5-(3,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109198682
5-(butylamino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 109180935
5-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109200253

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide (CID 109195662) is N-(3,4-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide is COc1ccc(NC(=O)c2ccc(NCCC(C)C)cn2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide?
The InChIKey is NHYRYMSGOWZZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13(2)9-10-20-15-5-7-16(21-12-15)19(23)22-14-6-8-17(24-3)18(11-14)25-4/h5-8,11-13,20H,9-10H2,1-4H3,(H,22,23).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide?
N-(3,4-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109195662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).