3-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1-methyl-6-propan-2-ylpyridin-2-one

C22H35N3O2 — CID 56875133

IUPAC3-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1-methyl-6-propan-2-ylpyridin-2-one
SMILESCC(C)c1ccc(C(=O)N2CCCN(CC3CC3)C(C(C)C)C2)c(=O)n1C
InChIInChI=1S/C22H35N3O2/c1-15(2)19-10-9-18(21(26)23(19)5)22(27)25-12-6-11-24(13-17-7-8-17)20(14-25)16(3)4/h9-10,15-17,20H,6-8,11-14H2,1-5H3
InChIKeyASNBQHFTAXEGKQ-UHFFFAOYSA-N
MW373.54 g/mol
LogP3.09
Rot. Bonds5

About 3-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1-methyl-6-propan-2-ylpyridin-2-one

3-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1-methyl-6-propan-2-ylpyridin-2-one (PubChem CID 56875133) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 3-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1-methyl-6-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1-methyl-6-propan-2-ylpyridin-2-one
PubChem CID56875133
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name3-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1-methyl-6-propan-2-ylpyridin-2-one
SMILESCC(C)c1ccc(C(=O)N2CCCN(CC3CC3)C(C(C)C)C2)c(=O)n1C
InChIInChI=1S/C22H35N3O2/c1-15(2)19-10-9-18(21(26)23(19)5)22(27)25-12-6-11-24(13-17-7-8-17)20(14-25)16(3)4/h9-10,15-17,20H,6-8,11-14H2,1-5H3
InChIKeyASNBQHFTAXEGKQ-UHFFFAOYSA-N
XLogP3.09
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1-methyl-6-propan-2-ylpyridin-2-one with MolForge

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Related Compounds

4-(Cyclopropylmethyl)-1-[(2-hydroxy-6-methyl-3-pyridinyl)carbonyl]-3-isopropyl-1,4-diazepan-5-one
CID 56866732
3-{[(3S)-3-(dimethylamino)azepan-1-yl]carbonyl}-6-isopropyl-1-methylpyridin-2(1H)-one
CID 70777443
N-(2-azepan-1-ylethyl)-1-ethyl-N-isopropyl-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 50960473
3-{[4-(cyclopropylmethyl)-3-isopropyl-1,4-diazepan-1-yl]carbonyl}-4,6-dimethyl-2(1H)-pyridinone
CID 56877982
1-{3-[4-(cyclopropylmethyl)-3-isopropyl-1,4-diazepan-1-yl]-3-oxopropyl}pyridin-2(1H)-one
CID 56878242
4-[4-(Cyclopropylmethyl)-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1-ethylpyridin-2-one
CID 56881222
3-[(4-cyclopentyl-1,4-diazepan-1-yl)carbonyl]-1-ethyl-4,6-dimethyl-2(1H)-pyridinone
CID 70788055
(7E)-1,3,4-trimethyl-7-[(2Z)-penta-2,4-dienylidene]-3,8-dihydro-1,4-benzodiazepine-2,5-dione
CID 59950675
ethane;(7E)-1,3,4-trimethyl-7-[(2Z)-penta-2,4-dienylidene]-3,8-dihydro-1,4-benzodiazepine-2,5-dione
CID 91539963
ethane;(6E,7E)-6-ethylidene-1,3,4-trimethyl-7-prop-2-enylidene-1,4-diazepane-2,5-dione
CID 142099910
3-{[4-(cyclopropylmethyl)-3-isopropyl-1,4-diazepan-1-yl]carbonyl}-1,6-dimethyl-2(1H)-pyridinone
CID 56872577
4-(Cyclopropylmethyl)-3-isopropyl-1-[(6-oxo-1,6-dihydro-3-pyridinyl)carbonyl]-1,4-diazepan-5-one
CID 56873880

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1-methyl-6-propan-2-ylpyridin-2-one?
The IUPAC name of 3-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1-methyl-6-propan-2-ylpyridin-2-one (CID 56875133) is 3-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1-methyl-6-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1-methyl-6-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1-methyl-6-propan-2-ylpyridin-2-one is CC(C)c1ccc(C(=O)N2CCCN(CC3CC3)C(C(C)C)C2)c(=O)n1C.
What is the InChIKey of 3-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1-methyl-6-propan-2-ylpyridin-2-one?
The InChIKey is ASNBQHFTAXEGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-15(2)19-10-9-18(21(26)23(19)5)22(27)25-12-6-11-24(13-17-7-8-17)20(14-25)16(3)4/h9-10,15-17,20H,6-8,11-14H2,1-5H3.
What are the key properties of 3-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1-methyl-6-propan-2-ylpyridin-2-one?
3-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1-methyl-6-propan-2-ylpyridin-2-one has a molecular weight of 373.54 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1-methyl-6-propan-2-ylpyridin-2-one is sourced from PubChem (CID 56875133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).