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

C21H24N6O2 — CID 109270345

IUPAC2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
SMILESCc1cc(Nc2ncc(C(=O)Nc3ccc(N4CCC(C)CC4)cc3)cn2)no1
InChIInChI=1S/C21H24N6O2/c1-14-7-9-27(10-8-14)18-5-3-17(4-6-18)24-20(28)16-12-22-21(23-13-16)25-19-11-15(2)29-26-19/h3-6,11-14H,7-10H2,1-2H3,(H,24,28)(H,22,23,25,26)
InChIKeyRCGWGDFFNMZFKX-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.01
Rot. Bonds5

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

2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide (PubChem CID 109270345) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
PubChem CID109270345
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
SMILESCc1cc(Nc2ncc(C(=O)Nc3ccc(N4CCC(C)CC4)cc3)cn2)no1
InChIInChI=1S/C21H24N6O2/c1-14-7-9-27(10-8-14)18-5-3-17(4-6-18)24-20(28)16-12-22-21(23-13-16)25-19-11-15(2)29-26-19/h3-6,11-14H,7-10H2,1-2H3,(H,24,28)(H,22,23,25,26)
InChIKeyRCGWGDFFNMZFKX-UHFFFAOYSA-N
XLogP4.01
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109249860
6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109164736
N-[4-(dimethylamino)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
CID 109270286
1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperidin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143974
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109178731
ethyl 4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carbonyl]amino]benzoate
CID 109270516
2-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109263588
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250972
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide
CID 109200617
2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine
CID 112878930
N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
CID 109270635
2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109268924

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide (CID 109270345) is 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide is Cc1cc(Nc2ncc(C(=O)Nc3ccc(N4CCC(C)CC4)cc3)cn2)no1.
What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide?
The InChIKey is RCGWGDFFNMZFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-14-7-9-27(10-8-14)18-5-3-17(4-6-18)24-20(28)16-12-22-21(23-13-16)25-19-11-15(2)29-26-19/h3-6,11-14H,7-10H2,1-2H3,(H,24,28)(H,22,23,25,26).
What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide?
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109270345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).