N-(3-methoxypropyl)-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide

C19H25N3O3 — CID 109206145

IUPACN-(3-methoxypropyl)-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1cc(Nc2ccccc2OC(C)C)ccn1
InChIInChI=1S/C19H25N3O3/c1-14(2)25-18-8-5-4-7-16(18)22-15-9-11-20-17(13-15)19(23)21-10-6-12-24-3/h4-5,7-9,11,13-14H,6,10,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyZJIKKRLHJQUMBC-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.38
Rot. Bonds9

About N-(3-methoxypropyl)-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide

N-(3-methoxypropyl)-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide (PubChem CID 109206145) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
PubChem CID109206145
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-(3-methoxypropyl)-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1cc(Nc2ccccc2OC(C)C)ccn1
InChIInChI=1S/C19H25N3O3/c1-14(2)25-18-8-5-4-7-16(18)22-15-9-11-20-17(13-15)19(23)21-10-6-12-24-3/h4-5,7-9,11,13-14H,6,10,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyZJIKKRLHJQUMBC-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-pentyl-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109217543
N-(3-methoxypropyl)-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109206146
N-[(2-methylphenyl)methyl]-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109209998
N-(3-methoxypropyl)-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109228125
4-(3-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206140
4-(2-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217325
N-(3-methoxypropyl)-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109153376
4-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206175
4-(4-bromo-2-methylanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206176
1-(3-methoxypropyl)-3-(2-propan-2-yloxyphenyl)urea
CID 47221937
N-(2-propan-2-yloxyphenyl)-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109221912
2-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295056

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide (CID 109206145) is N-(3-methoxypropyl)-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide is COCCCNC(=O)c1cc(Nc2ccccc2OC(C)C)ccn1.
What is the InChIKey of N-(3-methoxypropyl)-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide?
The InChIKey is ZJIKKRLHJQUMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14(2)25-18-8-5-4-7-16(18)22-15-9-11-20-17(13-15)19(23)21-10-6-12-24-3/h4-5,7-9,11,13-14H,6,10,12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-methoxypropyl)-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide?
N-(3-methoxypropyl)-4-(2-propan-2-yloxyanilino)pyridine-2-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)-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109206145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).