4-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide

C20H22N4O2 — CID 109220589

IUPAC4-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(Nc3ccc(C(C)(C)C)cc3)ccn2)no1
InChIInChI=1S/C20H22N4O2/c1-13-11-18(24-26-13)23-19(25)17-12-16(9-10-21-17)22-15-7-5-14(6-8-15)20(2,3)4/h5-12H,1-4H3,(H,21,22)(H,23,24,25)
InChIKeyPJZVPIZJQFBGPR-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.67
Rot. Bonds4

About 4-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide

4-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide (PubChem CID 109220589) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
PubChem CID109220589
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(Nc3ccc(C(C)(C)C)cc3)ccn2)no1
InChIInChI=1S/C20H22N4O2/c1-13-11-18(24-26-13)23-19(25)17-12-16(9-10-21-17)22-15-7-5-14(6-8-15)20(2,3)4/h5-12H,1-4H3,(H,21,22)(H,23,24,25)
InChIKeyPJZVPIZJQFBGPR-UHFFFAOYSA-N
XLogP4.67
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109198812
4-hydrazinyl-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 62249910
4-[2-chloro-5-(trifluoromethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109222326
4-(3-acetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109222149
N-(5-methyl-1,2-oxazol-3-yl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109200329
4-(cyclopentylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109204359
4-(3-methoxypropylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109206386
4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219134
N-(3-acetylphenyl)-4-(4-tert-butylanilino)pyridine-2-carboxamide
CID 109220583
4-N-(4-acetamidophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109093229
N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxyanilino)pyridine-2-carboxamide
CID 109222599
5-(3,4-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109198151

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide (CID 109220589) is 4-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide is Cc1cc(NC(=O)c2cc(Nc3ccc(C(C)(C)C)cc3)ccn2)no1.
What is the InChIKey of 4-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide?
The InChIKey is PJZVPIZJQFBGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-11-18(24-26-13)23-19(25)17-12-16(9-10-21-17)22-15-7-5-14(6-8-15)20(2,3)4/h5-12H,1-4H3,(H,21,22)(H,23,24,25).
What are the key properties of 4-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide?
4-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109220589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).