[4-(pyridine-3-carbonyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-7-yl]carbamic acid

C15H14N4O4 — CID 135156588

IUPAC[4-(pyridine-3-carbonyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-7-yl]carbamic acid
SMILESO=C(O)Nc1cnc2c(c1)CN(C(=O)c1cccnc1)CCO2
InChIInChI=1S/C15H14N4O4/c20-14(10-2-1-3-16-7-10)19-4-5-23-13-11(9-19)6-12(8-17-13)18-15(21)22/h1-3,6-8,18H,4-5,9H2,(H,21,22)
InChIKeyPJRJSKKWTBENFT-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.60
Rot. Bonds2

About [4-(pyridine-3-carbonyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-7-yl]carbamic acid

[4-(pyridine-3-carbonyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-7-yl]carbamic acid (PubChem CID 135156588) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is [4-(pyridine-3-carbonyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-7-yl]carbamic acid.

Molecular Properties

Compound Name[4-(pyridine-3-carbonyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-7-yl]carbamic acid
PubChem CID135156588
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name[4-(pyridine-3-carbonyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-7-yl]carbamic acid
SMILESO=C(O)Nc1cnc2c(c1)CN(C(=O)c1cccnc1)CCO2
InChIInChI=1S/C15H14N4O4/c20-14(10-2-1-3-16-7-10)19-4-5-23-13-11(9-19)6-12(8-17-13)18-15(21)22/h1-3,6-8,18H,4-5,9H2,(H,21,22)
InChIKeyPJRJSKKWTBENFT-UHFFFAOYSA-N
XLogP1.60
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-(pyridine-3-carbonyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-7-yl]carbamic acid with MolForge

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Related Compounds

(14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)-pyridin-3-ylmethanone
CID 175658334
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone
CID 47180831
3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(3-phenylphenyl)methanone
CID 90091575
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
2,3-dihydro-1,4-benzodioxin-6-yl-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808457
(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone
CID 110639185
7-(pyridine-3-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
CID 156865063
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 94646302
(2,3-dimethylquinoxalin-6-yl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 108533154
1,3-benzodioxol-5-yl-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808446
N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 112506085
(9-hydroxy-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(4-methoxyphenyl)methanone
CID 56714661

Frequently Asked Questions

What is the IUPAC name of [4-(pyridine-3-carbonyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-7-yl]carbamic acid?
The IUPAC name of [4-(pyridine-3-carbonyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-7-yl]carbamic acid (CID 135156588) is [4-(pyridine-3-carbonyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-7-yl]carbamic acid.
What is the SMILES notation for [4-(pyridine-3-carbonyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-7-yl]carbamic acid?
The canonical SMILES for [4-(pyridine-3-carbonyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-7-yl]carbamic acid is O=C(O)Nc1cnc2c(c1)CN(C(=O)c1cccnc1)CCO2.
What is the InChIKey of [4-(pyridine-3-carbonyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-7-yl]carbamic acid?
The InChIKey is PJRJSKKWTBENFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4/c20-14(10-2-1-3-16-7-10)19-4-5-23-13-11(9-19)6-12(8-17-13)18-15(21)22/h1-3,6-8,18H,4-5,9H2,(H,21,22).
What are the key properties of [4-(pyridine-3-carbonyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-7-yl]carbamic acid?
[4-(pyridine-3-carbonyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-7-yl]carbamic acid has a molecular weight of 314.30 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyridine-3-carbonyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-7-yl]carbamic acid is sourced from PubChem (CID 135156588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).