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

C19H25N3O3 — CID 109239954

IUPACN-(2,5-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cncc(NCCC(C)C)c2)c1
InChIInChI=1S/C19H25N3O3/c1-13(2)7-8-21-15-9-14(11-20-12-15)19(23)22-17-10-16(24-3)5-6-18(17)25-4/h5-6,9-13,21H,7-8H2,1-4H3,(H,22,23)
InChIKeyAYOIIDXHYWOYNT-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.81
Rot. Bonds8

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

N-(2,5-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide (PubChem CID 109239954) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide
PubChem CID109239954
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-(2,5-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cncc(NCCC(C)C)c2)c1
InChIInChI=1S/C19H25N3O3/c1-13(2)7-8-21-15-9-14(11-20-12-15)19(23)22-17-10-16(24-3)5-6-18(17)25-4/h5-6,9-13,21H,7-8H2,1-4H3,(H,22,23)
InChIKeyAYOIIDXHYWOYNT-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-(2,5-dimethoxyphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228308
N-(2,5-dimethoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240183
N-(2,5-dimethoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234341
5-[(4-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 109234136
N-(2-methoxy-5-methylphenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236957
N-(2,5-dimethoxyphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232174
5-(butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109224665
N-(2,5-dimethoxyphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109244180
N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240172
N-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234541
N-(2,4-dimethylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239914
5-(2,5-dimethoxyanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223294

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide (CID 109239954) is N-(2,5-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide is COc1ccc(OC)c(NC(=O)c2cncc(NCCC(C)C)c2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide?
The InChIKey is AYOIIDXHYWOYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13(2)7-8-21-15-9-14(11-20-12-15)19(23)22-17-10-16(24-3)5-6-18(17)25-4/h5-6,9-13,21H,7-8H2,1-4H3,(H,22,23).
What are the key properties of N-(2,5-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide?
N-(2,5-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-3-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-(2,5-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109239954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).