N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-pyridin-3-ylpropanamide

C17H17N3O3 — CID 40686360

IUPACN-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-pyridin-3-ylpropanamide
SMILESC[C@H]1Oc2ccc(NC(=O)CCc3cccnc3)cc2NC1=O
InChIInChI=1S/C17H17N3O3/c1-11-17(22)20-14-9-13(5-6-15(14)23-11)19-16(21)7-4-12-3-2-8-18-10-12/h2-3,5-6,8-11H,4,7H2,1H3,(H,19,21)(H,20,22)/t11-/m1/s1
InChIKeyJZCCJOCBCALLMJ-LLVKDONJSA-N
MW311.34 g/mol
LogP2.37
Rot. Bonds4

About N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-pyridin-3-ylpropanamide

N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-pyridin-3-ylpropanamide (PubChem CID 40686360) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-pyridin-3-ylpropanamide
PubChem CID40686360
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-pyridin-3-ylpropanamide
SMILESC[C@H]1Oc2ccc(NC(=O)CCc3cccnc3)cc2NC1=O
InChIInChI=1S/C17H17N3O3/c1-11-17(22)20-14-9-13(5-6-15(14)23-11)19-16(21)7-4-12-3-2-8-18-10-12/h2-3,5-6,8-11H,4,7H2,1H3,(H,19,21)(H,20,22)/t11-/m1/s1
InChIKeyJZCCJOCBCALLMJ-LLVKDONJSA-N
XLogP2.37
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 84938811
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide
CID 17424246
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(2-methylphenyl)propanamide
CID 110778176
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-pyridin-2-ylbutanamide
CID 51592779
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 42506170
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 46970976
4-(4-chlorophenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]butanamide
CID 51958466
N-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]-2-phenylacetamide
CID 9145419
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-(3-methylphenoxy)propanamide
CID 9145274
3-(cyclopropylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 60867993
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 16601064
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 9145083

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-pyridin-3-ylpropanamide (CID 40686360) is N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-pyridin-3-ylpropanamide is C[C@H]1Oc2ccc(NC(=O)CCc3cccnc3)cc2NC1=O.
What is the InChIKey of N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-pyridin-3-ylpropanamide?
The InChIKey is JZCCJOCBCALLMJ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-11-17(22)20-14-9-13(5-6-15(14)23-11)19-16(21)7-4-12-3-2-8-18-10-12/h2-3,5-6,8-11H,4,7H2,1H3,(H,19,21)(H,20,22)/t11-/m1/s1.
What are the key properties of N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-pyridin-3-ylpropanamide?
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-pyridin-3-ylpropanamide has a molecular weight of 311.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 40686360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).