N-(3-methoxypropyl)-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide

C19H25N3O3 — CID 109153376

IUPACN-(3-methoxypropyl)-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1ccc(Nc2ccccc2OC(C)C)nc1
InChIInChI=1S/C19H25N3O3/c1-14(2)25-17-8-5-4-7-16(17)22-18-10-9-15(13-21-18)19(23)20-11-6-12-24-3/h4-5,7-10,13-14H,6,11-12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyWLXOHOVVGYAHIJ-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.38
Rot. Bonds9

About N-(3-methoxypropyl)-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide

N-(3-methoxypropyl)-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide (PubChem CID 109153376) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(3-methoxypropyl)-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
PubChem CID109153376
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-(3-methoxypropyl)-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1ccc(Nc2ccccc2OC(C)C)nc1
InChIInChI=1S/C19H25N3O3/c1-14(2)25-17-8-5-4-7-16(17)22-18-10-9-15(13-21-18)19(23)20-11-6-12-24-3/h4-5,7-10,13-14H,6,11-12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyWLXOHOVVGYAHIJ-UHFFFAOYSA-N
XLogP3.38
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.38
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

N-butyl-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109151752
6-(2-ethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153373
6-(2-fluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153355
N-(3-methoxypropyl)-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109228125
N-cyclohexyl-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109152498
N-(3-methoxypropyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109153277
6-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153423
N-(3-methoxypropyl)-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109206145
1-(3-methoxypropyl)-3-(2-propan-2-yloxyphenyl)urea
CID 47221937
N-(3-methoxypropyl)-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54835570
1-N-(2-methoxyethyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109045189
6-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151913

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide (CID 109153376) is N-(3-methoxypropyl)-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide is COCCCNC(=O)c1ccc(Nc2ccccc2OC(C)C)nc1.
What is the InChIKey of N-(3-methoxypropyl)-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide?
The InChIKey is WLXOHOVVGYAHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14(2)25-17-8-5-4-7-16(17)22-18-10-9-15(13-21-18)19(23)20-11-6-12-24-3/h4-5,7-10,13-14H,6,11-12H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-(3-methoxypropyl)-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide?
N-(3-methoxypropyl)-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.38, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109153376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).