1-(cyclopropylmethyl)-7-(pyridazine-4-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one

C18H20N4O2 — CID 97411617

IUPAC1-(cyclopropylmethyl)-7-(pyridazine-4-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
SMILESO=C(c1ccnnc1)N1CCc2ccc(=O)n(CC3CC3)c2CC1
InChIInChI=1S/C18H20N4O2/c23-17-4-3-14-6-9-21(18(24)15-5-8-19-20-11-15)10-7-16(14)22(17)12-13-1-2-13/h3-5,8,11,13H,1-2,6-7,9-10,12H2
InChIKeyLRTYQHCDQUAIKB-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.29
Rot. Bonds3

About 1-(cyclopropylmethyl)-7-(pyridazine-4-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one

1-(cyclopropylmethyl)-7-(pyridazine-4-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one (PubChem CID 97411617) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-7-(pyridazine-4-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-7-(pyridazine-4-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
PubChem CID97411617
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-(cyclopropylmethyl)-7-(pyridazine-4-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
SMILESO=C(c1ccnnc1)N1CCc2ccc(=O)n(CC3CC3)c2CC1
InChIInChI=1S/C18H20N4O2/c23-17-4-3-14-6-9-21(18(24)15-5-8-19-20-11-15)10-7-16(14)22(17)12-13-1-2-13/h3-5,8,11,13H,1-2,6-7,9-10,12H2
InChIKeyLRTYQHCDQUAIKB-UHFFFAOYSA-N
XLogP1.29
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(cyclopropylmethyl)-7-(pyridazine-4-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one with MolForge

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Related Compounds

7-(6-methylpyridine-3-carbonyl)-1-(oxan-4-ylmethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 155871441
1-(cyclopropylmethyl)-7-(2,5-dimethylfuran-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 97466843
(4aR,7aR)-4-(cyclopropylmethyl)-6-(pyridazine-4-carbonyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 97402689
[4-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104672545
(4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 112702155
1-(pyridin-4-ylmethyl)-7-(1H-pyrrole-2-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 97390103
[4-(2-bromoethoxy)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104672782
N-[(6S)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]morpholine-4-carboxamide
CID 97406161
morpholin-4-yl(pyridazin-4-yl)methanone
CID 115736040
1-methyl-7-(thiophene-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 97466779
[3-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104672520
1-(2-methoxyethyl)-7-(oxolane-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 134078748

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-7-(pyridazine-4-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-7-(pyridazine-4-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one (CID 97411617) is 1-(cyclopropylmethyl)-7-(pyridazine-4-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-7-(pyridazine-4-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-7-(pyridazine-4-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one is O=C(c1ccnnc1)N1CCc2ccc(=O)n(CC3CC3)c2CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-7-(pyridazine-4-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one?
The InChIKey is LRTYQHCDQUAIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-17-4-3-14-6-9-21(18(24)15-5-8-19-20-11-15)10-7-16(14)22(17)12-13-1-2-13/h3-5,8,11,13H,1-2,6-7,9-10,12H2.
What are the key properties of 1-(cyclopropylmethyl)-7-(pyridazine-4-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one?
1-(cyclopropylmethyl)-7-(pyridazine-4-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one has a molecular weight of 324.38 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-7-(pyridazine-4-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one is sourced from PubChem (CID 97411617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).