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

C18H19N3O3 — CID 51592779

IUPACN-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-pyridin-2-ylbutanamide
SMILESC[C@H]1Oc2ccc(NC(=O)CCCc3ccccn3)cc2NC1=O
InChIInChI=1S/C18H19N3O3/c1-12-18(23)21-15-11-14(8-9-16(15)24-12)20-17(22)7-4-6-13-5-2-3-10-19-13/h2-3,5,8-12H,4,6-7H2,1H3,(H,20,22)(H,21,23)/t12-/m1/s1
InChIKeyXYYRMQONBJTAMY-GFCCVEGCSA-N
MW325.37 g/mol
LogP2.76
Rot. Bonds5

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

N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-pyridin-2-ylbutanamide (PubChem CID 51592779) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-pyridin-2-ylbutanamide.

Molecular Properties

Compound NameN-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-pyridin-2-ylbutanamide
PubChem CID51592779
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-pyridin-2-ylbutanamide
SMILESC[C@H]1Oc2ccc(NC(=O)CCCc3ccccn3)cc2NC1=O
InChIInChI=1S/C18H19N3O3/c1-12-18(23)21-15-11-14(8-9-16(15)24-12)20-17(22)7-4-6-13-5-2-3-10-19-13/h2-3,5,8-12H,4,6-7H2,1H3,(H,20,22)(H,21,23)/t12-/m1/s1
InChIKeyXYYRMQONBJTAMY-GFCCVEGCSA-N
XLogP2.76
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-pyridin-2-ylbutanamide with MolForge

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Launch Full Analysis

Related Compounds

4-amino-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)butanamide;hydrochloride
CID 119273981
4-(4-chlorophenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]butanamide
CID 51958466
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]-3-pyridin-3-ylpropanamide
CID 40686360
3-(1H-benzimidazol-2-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 46664947
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 42506170
3-(4-ethylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 84938811
6-(carbamoylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)hexanamide
CID 18164565
2-(2-fluorophenyl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9145610
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-(3-methylphenoxy)propanamide
CID 9145274
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-naphthalen-2-yl-4-oxobutanamide
CID 9147983
3-(cyclopropylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 60867993

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-pyridin-2-ylbutanamide?
The IUPAC name of N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-pyridin-2-ylbutanamide (CID 51592779) is N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-pyridin-2-ylbutanamide.
What is the SMILES notation for N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-pyridin-2-ylbutanamide?
The canonical SMILES for N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-pyridin-2-ylbutanamide is C[C@H]1Oc2ccc(NC(=O)CCCc3ccccn3)cc2NC1=O.
What is the InChIKey of N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-pyridin-2-ylbutanamide?
The InChIKey is XYYRMQONBJTAMY-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12-18(23)21-15-11-14(8-9-16(15)24-12)20-17(22)7-4-6-13-5-2-3-10-19-13/h2-3,5,8-12H,4,6-7H2,1H3,(H,20,22)(H,21,23)/t12-/m1/s1.
What are the key properties of N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-pyridin-2-ylbutanamide?
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-pyridin-2-ylbutanamide has a molecular weight of 325.37 g/mol, XLogP of 2.76, 5 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]-4-pyridin-2-ylbutanamide is sourced from PubChem (CID 51592779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).