N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide

C20H17N5O3 — CID 131931944

IUPACN-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide
SMILESCC1Oc2ccc(NC(=O)c3cnc(-c4ccccn4)nc3)cc2N(C)C1=O
InChIInChI=1S/C20H17N5O3/c1-12-20(27)25(2)16-9-14(6-7-17(16)28-12)24-19(26)13-10-22-18(23-11-13)15-5-3-4-8-21-15/h3-12H,1-2H3,(H,24,26)
InChIKeySMJODSVBQYAHEW-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.53
Rot. Bonds3

About N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide

N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide (PubChem CID 131931944) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide
PubChem CID131931944
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC NameN-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide
SMILESCC1Oc2ccc(NC(=O)c3cnc(-c4ccccn4)nc3)cc2N(C)C1=O
InChIInChI=1S/C20H17N5O3/c1-12-20(27)25(2)16-9-14(6-7-17(16)28-12)24-19(26)13-10-22-18(23-11-13)15-5-3-4-8-21-15/h3-12H,1-2H3,(H,24,26)
InChIKeySMJODSVBQYAHEW-UHFFFAOYSA-N
XLogP2.53
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3H-benzimidazole-5-carboxamide
CID 110793039
4-(dimethylamino)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide
CID 110793041
N-[2-[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide
CID 42504871
N-(3,4-difluorophenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683250
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 131949324
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51065384
N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 52904676
N-(4-methoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683224
2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide;hydrochloride
CID 154915922
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110793038
2-(2-chlorophenyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110778210
2-(aminomethyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 154915006

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide (CID 131931944) is N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide is CC1Oc2ccc(NC(=O)c3cnc(-c4ccccn4)nc3)cc2N(C)C1=O.
What is the InChIKey of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide?
The InChIKey is SMJODSVBQYAHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-12-20(27)25(2)16-9-14(6-7-17(16)28-12)24-19(26)13-10-22-18(23-11-13)15-5-3-4-8-21-15/h3-12H,1-2H3,(H,24,26).
What are the key properties of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide?
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 131931944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).