4-(3-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide

C17H21N3O3 — CID 109206140

IUPAC4-(3-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1cc(Nc2cccc(OC)c2)ccn1
InChIInChI=1S/C17H21N3O3/c1-22-10-4-8-19-17(21)16-12-14(7-9-18-16)20-13-5-3-6-15(11-13)23-2/h3,5-7,9,11-12H,4,8,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyFZRPAHQLDDOHEB-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.60
Rot. Bonds8

About 4-(3-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide

4-(3-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide (PubChem CID 109206140) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-(3-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
PubChem CID109206140
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name4-(3-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1cc(Nc2cccc(OC)c2)ccn1
InChIInChI=1S/C17H21N3O3/c1-22-10-4-8-19-17(21)16-12-14(7-9-18-16)20-13-5-3-6-15(11-13)23-2/h3,5-7,9,11-12H,4,8,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyFZRPAHQLDDOHEB-UHFFFAOYSA-N
XLogP2.60
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212009
N-(3-methoxypropyl)-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109206146
4-(3-methoxyanilino)-N-phenylpyridine-2-carboxamide
CID 109218773
4-(3-fluoroanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205806
4-(3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214435
N-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyanilino)pyridine-2-carboxamide
CID 109215319
N-(3-methoxypropyl)-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109206145
4-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214408
4-(3-methoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219226
4-(3-chloro-4-methylanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109221266
2-(3-methoxyanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166806
2-(3-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295051

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide (CID 109206140) is 4-(3-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide is COCCCNC(=O)c1cc(Nc2cccc(OC)c2)ccn1.
What is the InChIKey of 4-(3-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide?
The InChIKey is FZRPAHQLDDOHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-22-10-4-8-19-17(21)16-12-14(7-9-18-16)20-13-5-3-6-15(11-13)23-2/h3,5-7,9,11-12H,4,8,10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 4-(3-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide?
4-(3-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109206140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).