N-butyl-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide

C23H25N3O2 — CID 109165508

IUPACN-butyl-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide
SMILESCCCCNC(=O)c1ccnc(Nc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C23H25N3O2/c1-2-3-14-25-23(27)19-13-15-24-22(16-19)26-20-9-11-21(12-10-20)28-17-18-7-5-4-6-8-18/h4-13,15-16H,2-3,14,17H2,1H3,(H,24,26)(H,25,27)
InChIKeyKHCQYSKCAHWFIP-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.93
Rot. Bonds9

About N-butyl-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide

N-butyl-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide (PubChem CID 109165508) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-butyl-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide
PubChem CID109165508
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-butyl-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide
SMILESCCCCNC(=O)c1ccnc(Nc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C23H25N3O2/c1-2-3-14-25-23(27)19-13-15-24-22(16-19)26-20-9-11-21(12-10-20)28-17-18-7-5-4-6-8-18/h4-13,15-16H,2-3,14,17H2,1H3,(H,24,26)(H,25,27)
InChIKeyKHCQYSKCAHWFIP-UHFFFAOYSA-N
XLogP4.93
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.93
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

N-(furan-2-ylmethyl)-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide
CID 109169297
N-(4-phenylmethoxyphenyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165135
N-pentyl-3-phenylmethoxybenzamide
CID 112759707
N-pentyl-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109175363
4-phenylmethoxy-N-propylbenzamide
CID 4958389
2-(4-ethoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172763
N-(3-methoxypropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide
CID 109251815
N-(3-phenylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165110
N-butyl-2-(propylamino)pyridine-4-carboxamide
CID 62185279
N-(2-phenylethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide
CID 1441278
N-butyl-2-(2-tert-butylanilino)pyridine-4-carboxamide
CID 109165472
2-(2-methylanilino)-N-pentylpyridine-4-carboxamide
CID 109175321

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide?
The IUPAC name of N-butyl-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide (CID 109165508) is N-butyl-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-butyl-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide?
The canonical SMILES for N-butyl-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide is CCCCNC(=O)c1ccnc(Nc2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of N-butyl-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide?
The InChIKey is KHCQYSKCAHWFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-2-3-14-25-23(27)19-13-15-24-22(16-19)26-20-9-11-21(12-10-20)28-17-18-7-5-4-6-8-18/h4-13,15-16H,2-3,14,17H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-butyl-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide?
N-butyl-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109165508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).