N-butyl-2-(2-tert-butylanilino)pyridine-4-carboxamide

C20H27N3O — CID 109165472

IUPACN-butyl-2-(2-tert-butylanilino)pyridine-4-carboxamide
SMILESCCCCNC(=O)c1ccnc(Nc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C20H27N3O/c1-5-6-12-22-19(24)15-11-13-21-18(14-15)23-17-10-8-7-9-16(17)20(2,3)4/h7-11,13-14H,5-6,12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyHNQCXMLFENXBHQ-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.65
Rot. Bonds6

About N-butyl-2-(2-tert-butylanilino)pyridine-4-carboxamide

N-butyl-2-(2-tert-butylanilino)pyridine-4-carboxamide (PubChem CID 109165472) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-butyl-2-(2-tert-butylanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(2-tert-butylanilino)pyridine-4-carboxamide
PubChem CID109165472
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-butyl-2-(2-tert-butylanilino)pyridine-4-carboxamide
SMILESCCCCNC(=O)c1ccnc(Nc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C20H27N3O/c1-5-6-12-22-19(24)15-11-13-21-18(14-15)23-17-10-8-7-9-16(17)20(2,3)4/h7-11,13-14H,5-6,12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyHNQCXMLFENXBHQ-UHFFFAOYSA-N
XLogP4.65
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylanilino)-N-pentylpyridine-4-carboxamide
CID 109175321
N-butyl-2-(propylamino)pyridine-4-carboxamide
CID 62185279
N-[2-(dimethylamino)ethyl]-2-[2-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109167733
N-butyl-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109165416
2-(butan-2-ylamino)-N-butylpyridine-4-carboxamide
CID 109165401
6-(2-tert-butylanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846836
2-N-butyl-4-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109079504
N-butyl-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide
CID 109165508
N-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109165408
N-(3-phenylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165110
2-[(2-fluorophenyl)methylamino]-N-pentylpyridine-4-carboxamide
CID 109170487
N-butyl-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109165425

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-tert-butylanilino)pyridine-4-carboxamide?
The IUPAC name of N-butyl-2-(2-tert-butylanilino)pyridine-4-carboxamide (CID 109165472) is N-butyl-2-(2-tert-butylanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-butyl-2-(2-tert-butylanilino)pyridine-4-carboxamide?
The canonical SMILES for N-butyl-2-(2-tert-butylanilino)pyridine-4-carboxamide is CCCCNC(=O)c1ccnc(Nc2ccccc2C(C)(C)C)c1.
What is the InChIKey of N-butyl-2-(2-tert-butylanilino)pyridine-4-carboxamide?
The InChIKey is HNQCXMLFENXBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-5-6-12-22-19(24)15-11-13-21-18(14-15)23-17-10-8-7-9-16(17)20(2,3)4/h7-11,13-14H,5-6,12H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-butyl-2-(2-tert-butylanilino)pyridine-4-carboxamide?
N-butyl-2-(2-tert-butylanilino)pyridine-4-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-tert-butylanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109165472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).