N-[2-(2-cyanopropan-2-ylcarbamoyl)-4-pyridinyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide

C19H17N5O4 — CID 139348095

IUPACN-[2-(2-cyanopropan-2-ylcarbamoyl)-4-pyridinyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESCC(C)(C#N)NC(=O)c1cc(NC(=O)c2ccc3c(c2)OCC(=O)N3)ccn1
InChIInChI=1S/C19H17N5O4/c1-19(2,10-20)24-18(27)14-8-12(5-6-21-14)22-17(26)11-3-4-13-15(7-11)28-9-16(25)23-13/h3-8H,9H2,1-2H3,(H,23,25)(H,24,27)(H,21,22,26)
InChIKeyFWSKQVXEYOZEPY-UHFFFAOYSA-N
MW379.38 g/mol
LogP1.70
Rot. Bonds4

About N-[2-(2-cyanopropan-2-ylcarbamoyl)-4-pyridinyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide

N-[2-(2-cyanopropan-2-ylcarbamoyl)-4-pyridinyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide (PubChem CID 139348095) has the molecular formula C19H17N5O4 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-[2-(2-cyanopropan-2-ylcarbamoyl)-4-pyridinyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(2-cyanopropan-2-ylcarbamoyl)-4-pyridinyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
PubChem CID139348095
Molecular FormulaC19H17N5O4
Molecular Weight379.38 g/mol
Exact Mass379.13
IUPAC NameN-[2-(2-cyanopropan-2-ylcarbamoyl)-4-pyridinyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESCC(C)(C#N)NC(=O)c1cc(NC(=O)c2ccc3c(c2)OCC(=O)N3)ccn1
InChIInChI=1S/C19H17N5O4/c1-19(2,10-20)24-18(27)14-8-12(5-6-21-14)22-17(26)11-3-4-13-15(7-11)28-9-16(25)23-13/h3-8H,9H2,1-2H3,(H,23,25)(H,24,27)(H,21,22,26)
InChIKeyFWSKQVXEYOZEPY-UHFFFAOYSA-N
XLogP1.70
TPSA133.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-(2-cyanopropan-2-ylcarbamoyl)-4-pyridinyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide with MolForge

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Related Compounds

3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide
CID 53023811
N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyridine-2-carboxamide
CID 56587899
2-methyl-2-[4-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]pyrazol-1-yl]propanoic acid
CID 120696194
3-oxo-N-(1H-pyrazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide
CID 61393673
N-(1H-imidazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 55027632
N-(3-methylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 27335225
N-(2-methyl-1,3-benzoxazol-5-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 26702181
3-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-1,4-benzoxazine-7-carboxamide
CID 30269288
N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53023831
N-(3-oxo-4H-1,4-benzoxazin-7-yl)thiophene-3-carboxamide
CID 59802926
N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 51153474
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyanopropan-2-ylcarbamoyl)-4-pyridinyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The IUPAC name of N-[2-(2-cyanopropan-2-ylcarbamoyl)-4-pyridinyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide (CID 139348095) is N-[2-(2-cyanopropan-2-ylcarbamoyl)-4-pyridinyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for N-[2-(2-cyanopropan-2-ylcarbamoyl)-4-pyridinyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for N-[2-(2-cyanopropan-2-ylcarbamoyl)-4-pyridinyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide is CC(C)(C#N)NC(=O)c1cc(NC(=O)c2ccc3c(c2)OCC(=O)N3)ccn1.
What is the InChIKey of N-[2-(2-cyanopropan-2-ylcarbamoyl)-4-pyridinyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The InChIKey is FWSKQVXEYOZEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O4/c1-19(2,10-20)24-18(27)14-8-12(5-6-21-14)22-17(26)11-3-4-13-15(7-11)28-9-16(25)23-13/h3-8H,9H2,1-2H3,(H,23,25)(H,24,27)(H,21,22,26).
What are the key properties of N-[2-(2-cyanopropan-2-ylcarbamoyl)-4-pyridinyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
N-[2-(2-cyanopropan-2-ylcarbamoyl)-4-pyridinyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide has a molecular weight of 379.38 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyanopropan-2-ylcarbamoyl)-4-pyridinyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 139348095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).