N-(3-cyanophenyl)-6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide

C17H14N6O2 — CID 109338205

IUPACN-(3-cyanophenyl)-6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C#N)c2)nc(Nc2cc(C)on2)n1
InChIInChI=1S/C17H14N6O2/c1-10-6-14(16(24)20-13-5-3-4-12(8-13)9-18)21-17(19-10)22-15-7-11(2)25-23-15/h3-8H,1-2H3,(H,20,24)(H,19,21,22,23)
InChIKeySLXDCKDBZUJZFQ-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.95
Rot. Bonds4

About N-(3-cyanophenyl)-6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide

N-(3-cyanophenyl)-6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide (PubChem CID 109338205) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-(3-cyanophenyl)-6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
PubChem CID109338205
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC NameN-(3-cyanophenyl)-6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C#N)c2)nc(Nc2cc(C)on2)n1
InChIInChI=1S/C17H14N6O2/c1-10-6-14(16(24)20-13-5-3-4-12(8-13)9-18)21-17(19-10)22-15-7-11(2)25-23-15/h3-8H,1-2H3,(H,20,24)(H,19,21,22,23)
InChIKeySLXDCKDBZUJZFQ-UHFFFAOYSA-N
XLogP2.95
TPSA116.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-anilino-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334617
2-(3-cyanoanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337603
2-(3-cyanoanilino)-6-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109337788
2-(3-chloro-4-fluoroanilino)-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337349
2-(3-cyanoanilino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336338
2-(3-cyanoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338197
2-(3-cyanoanilino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336643
N-(3-chloro-2-methylphenyl)-2-(3-cyanoanilino)-6-methylpyrimidine-4-carboxamide
CID 109337220
3-N-(3-cyanophenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide
CID 109109078
2-anilino-N-(4-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334618
2-(3-acetylanilino)-N-(4-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337811
N-(3-cyanophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 100779207

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide (CID 109338205) is N-(3-cyanophenyl)-6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2cccc(C#N)c2)nc(Nc2cc(C)on2)n1.
What is the InChIKey of N-(3-cyanophenyl)-6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
The InChIKey is SLXDCKDBZUJZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c1-10-6-14(16(24)20-13-5-3-4-12(8-13)9-18)21-17(19-10)22-15-7-11(2)25-23-15/h3-8H,1-2H3,(H,20,24)(H,19,21,22,23).
What are the key properties of N-(3-cyanophenyl)-6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
N-(3-cyanophenyl)-6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109338205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).