N-[4-[(2R)-1,7-dimethyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide

C20H19N5O3 — CID 95802042

IUPACN-[4-[(2R)-1,7-dimethyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc([C@@H]3NC(=O)c4ccc(C)nc4N3C)cc2)on1
InChIInChI=1S/C20H19N5O3/c1-11-4-9-15-18(21-11)25(3)17(23-19(15)26)13-5-7-14(8-6-13)22-20(27)16-10-12(2)24-28-16/h4-10,17H,1-3H3,(H,22,27)(H,23,26)/t17-/m1/s1
InChIKeyBNKSGWKUIBRDED-QGZVFWFLSA-N
MW377.40 g/mol
LogP2.82
Rot. Bonds3

About N-[4-[(2R)-1,7-dimethyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[4-[(2R)-1,7-dimethyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 95802042) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[4-[(2R)-1,7-dimethyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(2R)-1,7-dimethyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID95802042
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC NameN-[4-[(2R)-1,7-dimethyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc([C@@H]3NC(=O)c4ccc(C)nc4N3C)cc2)on1
InChIInChI=1S/C20H19N5O3/c1-11-4-9-15-18(21-11)25(3)17(23-19(15)26)13-5-7-14(8-6-13)22-20(27)16-10-12(2)24-28-16/h4-10,17H,1-3H3,(H,22,27)(H,23,26)/t17-/m1/s1
InChIKeyBNKSGWKUIBRDED-QGZVFWFLSA-N
XLogP2.82
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[(2R)-1,7-dimethyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-1,7-dimethyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-[(2R)-1,7-dimethyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 95802042) is N-[4-[(2R)-1,7-dimethyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-[(2R)-1,7-dimethyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-[(2R)-1,7-dimethyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2ccc([C@@H]3NC(=O)c4ccc(C)nc4N3C)cc2)on1.
What is the InChIKey of N-[4-[(2R)-1,7-dimethyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is BNKSGWKUIBRDED-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-11-4-9-15-18(21-11)25(3)17(23-19(15)26)13-5-7-14(8-6-13)22-20(27)16-10-12(2)24-28-16/h4-10,17H,1-3H3,(H,22,27)(H,23,26)/t17-/m1/s1.
What are the key properties of N-[4-[(2R)-1,7-dimethyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[4-[(2R)-1,7-dimethyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-1,7-dimethyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 95802042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).