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

C18H23N3O4 — CID 109228308

IUPACN-(2,5-dimethoxyphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide
SMILESCOCCCNc1cncc(C(=O)Nc2cc(OC)ccc2OC)c1
InChIInChI=1S/C18H23N3O4/c1-23-8-4-7-20-14-9-13(11-19-12-14)18(22)21-16-10-15(24-2)5-6-17(16)25-3/h5-6,9-12,20H,4,7-8H2,1-3H3,(H,21,22)
InChIKeyVRKUMWZTAMRHIB-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.80
Rot. Bonds9

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

N-(2,5-dimethoxyphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide (PubChem CID 109228308) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide
PubChem CID109228308
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-(2,5-dimethoxyphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide
SMILESCOCCCNc1cncc(C(=O)Nc2cc(OC)ccc2OC)c1
InChIInChI=1S/C18H23N3O4/c1-23-8-4-7-20-14-9-13(11-19-12-14)18(22)21-16-10-15(24-2)5-6-17(16)25-3/h5-6,9-12,20H,4,7-8H2,1-3H3,(H,21,22)
InChIKeyVRKUMWZTAMRHIB-UHFFFAOYSA-N
XLogP2.80
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240183
N-(2-methoxyphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228300
N-(2,5-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239954
N-(2,5-dimethoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234341
5-(butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109224665
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
N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240172
N-(2,5-dimethoxyphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109244180
5-(3-methoxypropylamino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109228264
N-(2,5-dimethoxyphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206327

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide (CID 109228308) is N-(2,5-dimethoxyphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide is COCCCNc1cncc(C(=O)Nc2cc(OC)ccc2OC)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide?
The InChIKey is VRKUMWZTAMRHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-23-8-4-7-20-14-9-13(11-19-12-14)18(22)21-16-10-15(24-2)5-6-17(16)25-3/h5-6,9-12,20H,4,7-8H2,1-3H3,(H,21,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide?
N-(2,5-dimethoxyphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109228308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).