5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide

C21H25N5O2 — CID 109200907

IUPAC5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(Nc2ccc(C(=O)Nc3cc(C)on3)nc2)c(C)c1
InChIInChI=1S/C21H25N5O2/c1-5-26(6-2)17-8-10-18(14(3)11-17)23-16-7-9-19(22-13-16)21(27)24-20-12-15(4)28-25-20/h7-13,23H,5-6H2,1-4H3,(H,24,25,27)
InChIKeyWOAQUULUDAWMDQ-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.53
Rot. Bonds7

About 5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide

5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide (PubChem CID 109200907) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
PubChem CID109200907
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(Nc2ccc(C(=O)Nc3cc(C)on3)nc2)c(C)c1
InChIInChI=1S/C21H25N5O2/c1-5-26(6-2)17-8-10-18(14(3)11-17)23-16-7-9-19(22-13-16)21(27)24-20-12-15(4)28-25-20/h7-13,23H,5-6H2,1-4H3,(H,24,25,27)
InChIKeyWOAQUULUDAWMDQ-UHFFFAOYSA-N
XLogP4.53
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294643
5-(3,4-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109198151
N-(5-methyl-1,2-oxazol-3-yl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109198762
5-(3,5-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109198217
1-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-3-propan-2-ylurea
CID 113036973
N-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-2-phenylacetamide
CID 113036965
N-(5-methyl-1,2-oxazol-3-yl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109200329
ethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109200797
2-N-[4-(diethylamino)-2-methylphenyl]-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109144211
5-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109198812
5-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide
CID 109183226
5-[2-chloro-5-(trifluoromethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109200549

Frequently Asked Questions

What is the IUPAC name of 5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide?
The IUPAC name of 5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide (CID 109200907) is 5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide is CCN(CC)c1ccc(Nc2ccc(C(=O)Nc3cc(C)on3)nc2)c(C)c1.
What is the InChIKey of 5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide?
The InChIKey is WOAQUULUDAWMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-5-26(6-2)17-8-10-18(14(3)11-17)23-16-7-9-19(22-13-16)21(27)24-20-12-15(4)28-25-20/h7-13,23H,5-6H2,1-4H3,(H,24,25,27).
What are the key properties of 5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide?
5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109200907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).