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

C20H22N4O2 — CID 109198812

IUPAC5-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Nc3ccc(C(C)(C)C)cc3)cn2)no1
InChIInChI=1S/C20H22N4O2/c1-13-11-18(24-26-13)23-19(25)17-10-9-16(12-21-17)22-15-7-5-14(6-8-15)20(2,3)4/h5-12,22H,1-4H3,(H,23,24,25)
InChIKeyPDVUNYGFZQCBBT-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.67
Rot. Bonds4

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

5-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide (PubChem CID 109198812) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
PubChem CID109198812
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name5-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Nc3ccc(C(C)(C)C)cc3)cn2)no1
InChIInChI=1S/C20H22N4O2/c1-13-11-18(24-26-13)23-19(25)17-10-9-16(12-21-17)22-15-7-5-14(6-8-15)20(2,3)4/h5-12,22H,1-4H3,(H,23,24,25)
InChIKeyPDVUNYGFZQCBBT-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

N-(5-methyl-1,2-oxazol-3-yl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109200329
4-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109220589
5-(3,5-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109198217
5-(3,4-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109198151
ethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109200797
N-(5-methyl-1,2-oxazol-3-yl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109198762
5-[2-chloro-5-(trifluoromethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109200549
N-(5-methyl-1,2-oxazol-3-yl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179831
N-(5-methyl-1,2-oxazol-3-yl)-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180619
methyl 3-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109200517
N-(4-tert-butylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198795
N-(2,6-dimethylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-2-carboxamide
CID 109198250

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide?
The IUPAC name of 5-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide (CID 109198812) is 5-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide is Cc1cc(NC(=O)c2ccc(Nc3ccc(C(C)(C)C)cc3)cn2)no1.
What is the InChIKey of 5-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide?
The InChIKey is PDVUNYGFZQCBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-11-18(24-26-13)23-19(25)17-10-9-16(12-21-17)22-15-7-5-14(6-8-15)20(2,3)4/h5-12,22H,1-4H3,(H,23,24,25).
What are the key properties of 5-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide?
5-(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 5-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109198812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).