1-methyl-5-[4-(3-pyridin-4-ylpropanoyl)-1,4-diazepane-1-carbonyl]pyridin-2-one

C20H24N4O3 — CID 137337200

IUPAC1-methyl-5-[4-(3-pyridin-4-ylpropanoyl)-1,4-diazepane-1-carbonyl]pyridin-2-one
SMILESCn1cc(C(=O)N2CCCN(C(=O)CCc3ccncc3)CC2)ccc1=O
InChIInChI=1S/C20H24N4O3/c1-22-15-17(4-6-18(22)25)20(27)24-12-2-11-23(13-14-24)19(26)5-3-16-7-9-21-10-8-16/h4,6-10,15H,2-3,5,11-14H2,1H3
InChIKeyNUPARPSYBGUYGH-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.09
Rot. Bonds4

About 1-methyl-5-[4-(3-pyridin-4-ylpropanoyl)-1,4-diazepane-1-carbonyl]pyridin-2-one

1-methyl-5-[4-(3-pyridin-4-ylpropanoyl)-1,4-diazepane-1-carbonyl]pyridin-2-one (PubChem CID 137337200) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-methyl-5-[4-(3-pyridin-4-ylpropanoyl)-1,4-diazepane-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[4-(3-pyridin-4-ylpropanoyl)-1,4-diazepane-1-carbonyl]pyridin-2-one
PubChem CID137337200
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name1-methyl-5-[4-(3-pyridin-4-ylpropanoyl)-1,4-diazepane-1-carbonyl]pyridin-2-one
SMILESCn1cc(C(=O)N2CCCN(C(=O)CCc3ccncc3)CC2)ccc1=O
InChIInChI=1S/C20H24N4O3/c1-22-15-17(4-6-18(22)25)20(27)24-12-2-11-23(13-14-24)19(26)5-3-16-7-9-21-10-8-16/h4,6-10,15H,2-3,5,11-14H2,1H3
InChIKeyNUPARPSYBGUYGH-UHFFFAOYSA-N
XLogP1.09
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-ethylphenyl)-1-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110798892
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridin-4-ylpropan-1-one
CID 78898612
3-(3-methylphenyl)-1-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110798897
1-(3-pyridin-4-ylpropanoyl)piperidin-4-one
CID 82475134
3-(4-methylphenyl)-1-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110798846
1-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridin-4-ylpropan-1-one
CID 70786553
1-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 39571083
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 47062111
3-(4-methylphenyl)-1-[4-(4-phenylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108544301
2-chloro-1-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 167785609
(4-methylphenyl)-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798290
1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)pyridin-2-one
CID 75461426

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[4-(3-pyridin-4-ylpropanoyl)-1,4-diazepane-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[4-(3-pyridin-4-ylpropanoyl)-1,4-diazepane-1-carbonyl]pyridin-2-one (CID 137337200) is 1-methyl-5-[4-(3-pyridin-4-ylpropanoyl)-1,4-diazepane-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[4-(3-pyridin-4-ylpropanoyl)-1,4-diazepane-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[4-(3-pyridin-4-ylpropanoyl)-1,4-diazepane-1-carbonyl]pyridin-2-one is Cn1cc(C(=O)N2CCCN(C(=O)CCc3ccncc3)CC2)ccc1=O.
What is the InChIKey of 1-methyl-5-[4-(3-pyridin-4-ylpropanoyl)-1,4-diazepane-1-carbonyl]pyridin-2-one?
The InChIKey is NUPARPSYBGUYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-22-15-17(4-6-18(22)25)20(27)24-12-2-11-23(13-14-24)19(26)5-3-16-7-9-21-10-8-16/h4,6-10,15H,2-3,5,11-14H2,1H3.
What are the key properties of 1-methyl-5-[4-(3-pyridin-4-ylpropanoyl)-1,4-diazepane-1-carbonyl]pyridin-2-one?
1-methyl-5-[4-(3-pyridin-4-ylpropanoyl)-1,4-diazepane-1-carbonyl]pyridin-2-one has a molecular weight of 368.44 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[4-(3-pyridin-4-ylpropanoyl)-1,4-diazepane-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 137337200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).