9-(cyclopropylmethoxy)-7-oxo-N-(pyridin-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]oxazepine-10-carboxamide

C20H23N3O4 — CID 91912843

IUPAC9-(cyclopropylmethoxy)-7-oxo-N-(pyridin-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]oxazepine-10-carboxamide
SMILESO=C(NCc1cccnc1)c1c(OCC2CC2)cc(=O)n2c1CCOCC2
InChIInChI=1S/C20H23N3O4/c24-18-10-17(27-13-14-3-4-14)19(16-5-8-26-9-7-23(16)18)20(25)22-12-15-2-1-6-21-11-15/h1-2,6,10-11,14H,3-5,7-9,12-13H2,(H,22,25)
InChIKeyLDDKAXNHVKTTDK-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.53
Rot. Bonds6

About 9-(cyclopropylmethoxy)-7-oxo-N-(pyridin-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]oxazepine-10-carboxamide

9-(cyclopropylmethoxy)-7-oxo-N-(pyridin-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]oxazepine-10-carboxamide (PubChem CID 91912843) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 9-(cyclopropylmethoxy)-7-oxo-N-(pyridin-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]oxazepine-10-carboxamide.

Molecular Properties

Compound Name9-(cyclopropylmethoxy)-7-oxo-N-(pyridin-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]oxazepine-10-carboxamide
PubChem CID91912843
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name9-(cyclopropylmethoxy)-7-oxo-N-(pyridin-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]oxazepine-10-carboxamide
SMILESO=C(NCc1cccnc1)c1c(OCC2CC2)cc(=O)n2c1CCOCC2
InChIInChI=1S/C20H23N3O4/c24-18-10-17(27-13-14-3-4-14)19(16-5-8-26-9-7-23(16)18)20(25)22-12-15-2-1-6-21-11-15/h1-2,6,10-11,14H,3-5,7-9,12-13H2,(H,22,25)
InChIKeyLDDKAXNHVKTTDK-UHFFFAOYSA-N
XLogP1.53
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(cyclopropylmethoxy)-1-(morpholine-4-carbonyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one
CID 91904578
2-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109168044
1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 60610661
5-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109184765
2-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 108994762
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
2-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 31972800
3-morpholin-4-yl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108943446
5-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109185798
N-(2-morpholin-4-ylethyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109344568
1-(morpholine-4-carbonyl)-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109075349
1-(3-morpholin-4-ylpropyl)-3-(pyridin-3-ylmethyl)urea
CID 127566290

Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethoxy)-7-oxo-N-(pyridin-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]oxazepine-10-carboxamide?
The IUPAC name of 9-(cyclopropylmethoxy)-7-oxo-N-(pyridin-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]oxazepine-10-carboxamide (CID 91912843) is 9-(cyclopropylmethoxy)-7-oxo-N-(pyridin-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]oxazepine-10-carboxamide.
What is the SMILES notation for 9-(cyclopropylmethoxy)-7-oxo-N-(pyridin-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]oxazepine-10-carboxamide?
The canonical SMILES for 9-(cyclopropylmethoxy)-7-oxo-N-(pyridin-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]oxazepine-10-carboxamide is O=C(NCc1cccnc1)c1c(OCC2CC2)cc(=O)n2c1CCOCC2.
What is the InChIKey of 9-(cyclopropylmethoxy)-7-oxo-N-(pyridin-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]oxazepine-10-carboxamide?
The InChIKey is LDDKAXNHVKTTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c24-18-10-17(27-13-14-3-4-14)19(16-5-8-26-9-7-23(16)18)20(25)22-12-15-2-1-6-21-11-15/h1-2,6,10-11,14H,3-5,7-9,12-13H2,(H,22,25).
What are the key properties of 9-(cyclopropylmethoxy)-7-oxo-N-(pyridin-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]oxazepine-10-carboxamide?
9-(cyclopropylmethoxy)-7-oxo-N-(pyridin-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]oxazepine-10-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropylmethoxy)-7-oxo-N-(pyridin-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]oxazepine-10-carboxamide is sourced from PubChem (CID 91912843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).