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

C23H25N3O2 — CID 109220562

IUPAC4-(2-tert-butylanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Nc3ccccc3C(C)(C)C)ccn2)cc1
InChIInChI=1S/C23H25N3O2/c1-23(2,3)19-7-5-6-8-20(19)25-17-13-14-24-21(15-17)22(27)26-16-9-11-18(28-4)12-10-16/h5-15H,1-4H3,(H,24,25)(H,26,27)
InChIKeyNVLCGFPHONDDQB-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.38
Rot. Bonds5

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

4-(2-tert-butylanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide (PubChem CID 109220562) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-(2-tert-butylanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-tert-butylanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
PubChem CID109220562
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name4-(2-tert-butylanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Nc3ccccc3C(C)(C)C)ccn2)cc1
InChIInChI=1S/C23H25N3O2/c1-23(2,3)19-7-5-6-8-20(19)25-17-13-14-24-21(15-17)22(27)26-16-9-11-18(28-4)12-10-16/h5-15H,1-4H3,(H,24,25)(H,26,27)
InChIKeyNVLCGFPHONDDQB-UHFFFAOYSA-N
XLogP5.38
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylphenyl)-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109220552
2-(2-tert-butylanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336670
4-(2,5-dichloroanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109221676
N-(2-fluorophenyl)-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109220605
4-(3-chloroanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109220984
N-(4-methoxyphenyl)-4-(methylamino)pyridine-2-carboxamide
CID 55042638
N-phenyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109218783
N-(4-methoxyphenyl)-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109221654
4-(4-methoxyanilino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109221716
N-(4-methoxyphenyl)-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109221648
N-(2-tert-butylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201594
4-(3-methoxyanilino)-N-phenylpyridine-2-carboxamide
CID 109218773

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butylanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(2-tert-butylanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide (CID 109220562) is 4-(2-tert-butylanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-tert-butylanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2-tert-butylanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide is COc1ccc(NC(=O)c2cc(Nc3ccccc3C(C)(C)C)ccn2)cc1.
What is the InChIKey of 4-(2-tert-butylanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide?
The InChIKey is NVLCGFPHONDDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-23(2,3)19-7-5-6-8-20(19)25-17-13-14-24-21(15-17)22(27)26-16-9-11-18(28-4)12-10-16/h5-15H,1-4H3,(H,24,25)(H,26,27).
What are the key properties of 4-(2-tert-butylanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide?
4-(2-tert-butylanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109220562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).