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

C17H21N3O2 — CID 109167047

IUPACN-(3-methoxypropyl)-2-(3-methylanilino)pyridine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(Nc2cccc(C)c2)c1
InChIInChI=1S/C17H21N3O2/c1-13-5-3-6-15(11-13)20-16-12-14(7-9-18-16)17(21)19-8-4-10-22-2/h3,5-7,9,11-12H,4,8,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyDCUBEKMTYVDTFT-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.90
Rot. Bonds7

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

N-(3-methoxypropyl)-2-(3-methylanilino)pyridine-4-carboxamide (PubChem CID 109167047) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(3-methylanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(3-methylanilino)pyridine-4-carboxamide
PubChem CID109167047
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(3-methoxypropyl)-2-(3-methylanilino)pyridine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(Nc2cccc(C)c2)c1
InChIInChI=1S/C17H21N3O2/c1-13-5-3-6-15(11-13)20-16-12-14(7-9-18-16)17(21)19-8-4-10-22-2/h3,5-7,9,11-12H,4,8,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyDCUBEKMTYVDTFT-UHFFFAOYSA-N
XLogP2.90
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluoroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167115
2-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167052
2-(3-bromoanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166839
2-(3-methoxyanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166806
2-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167135
2-(2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167087
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109166817
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167122
N-(3-methoxypropyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide
CID 109167064
N-[3-(dimethylamino)propyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109168244
methyl 3-[[4-[(3-methylphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109169805
2-(2,5-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167133

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(3-methylanilino)pyridine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2-(3-methylanilino)pyridine-4-carboxamide (CID 109167047) is N-(3-methoxypropyl)-2-(3-methylanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(3-methylanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(3-methylanilino)pyridine-4-carboxamide is COCCCNC(=O)c1ccnc(Nc2cccc(C)c2)c1.
What is the InChIKey of N-(3-methoxypropyl)-2-(3-methylanilino)pyridine-4-carboxamide?
The InChIKey is DCUBEKMTYVDTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13-5-3-6-15(11-13)20-16-12-14(7-9-18-16)17(21)19-8-4-10-22-2/h3,5-7,9,11-12H,4,8,10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-methoxypropyl)-2-(3-methylanilino)pyridine-4-carboxamide?
N-(3-methoxypropyl)-2-(3-methylanilino)pyridine-4-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(3-methylanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109167047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).