2-cyclopentyl-1-[(6R)-4-methyl-6-(1,5-naphthyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone

C22H30N4O — CID 124983695

IUPAC2-cyclopentyl-1-[(6R)-4-methyl-6-(1,5-naphthyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone
SMILESCN1CCN(C(=O)CC2CCCC2)C[C@H](Cc2ccnc3cccnc23)C1
InChIInChI=1S/C22H30N4O/c1-25-11-12-26(21(27)14-17-5-2-3-6-17)16-18(15-25)13-19-8-10-23-20-7-4-9-24-22(19)20/h4,7-10,17-18H,2-3,5-6,11-16H2,1H3/t18-/m1/s1
InChIKeyNFRVJIGDNMBSDS-GOSISDBHSA-N
MW366.51 g/mol
LogP3.14
Rot. Bonds4

About 2-cyclopentyl-1-[(6R)-4-methyl-6-(1,5-naphthyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone

2-cyclopentyl-1-[(6R)-4-methyl-6-(1,5-naphthyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone (PubChem CID 124983695) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-cyclopentyl-1-[(6R)-4-methyl-6-(1,5-naphthyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[(6R)-4-methyl-6-(1,5-naphthyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone
PubChem CID124983695
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name2-cyclopentyl-1-[(6R)-4-methyl-6-(1,5-naphthyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone
SMILESCN1CCN(C(=O)CC2CCCC2)C[C@H](Cc2ccnc3cccnc23)C1
InChIInChI=1S/C22H30N4O/c1-25-11-12-26(21(27)14-17-5-2-3-6-17)16-18(15-25)13-19-8-10-23-20-7-4-9-24-22(19)20/h4,7-10,17-18H,2-3,5-6,11-16H2,1H3/t18-/m1/s1
InChIKeyNFRVJIGDNMBSDS-GOSISDBHSA-N
XLogP3.14
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclopentyl-1-[(6R)-4-methyl-6-(1,5-naphthyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone with MolForge

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Related Compounds

4-[[(6R)-1-cyclohexyl-4-methyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine
CID 124941832
(1-methylcyclohexyl)-[(6R)-6-(1,5-naphthyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 124976285
2-cyclohexyl-1-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 134712272
1-[4-(2-amino-6-methylpyrimidin-4-yl)-6-(1,5-naphthyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 155985751
4-[[1-methyl-4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine
CID 155985673
2-cyclopentyl-1-[(6S)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-4-methyl-1,4-diazepan-1-yl]ethanone
CID 95815453
2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 78768063
2-cyclohexyl-1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 110243927
2-cyclopentyl-1-[3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 127252138
2-cyclopentyl-1-[(3S)-3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 125001841
2-cyclohexyl-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053550
(2-methylpyrimidin-4-yl)-[(3R)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 124961035

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[(6R)-4-methyl-6-(1,5-naphthyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[(6R)-4-methyl-6-(1,5-naphthyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone (CID 124983695) is 2-cyclopentyl-1-[(6R)-4-methyl-6-(1,5-naphthyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[(6R)-4-methyl-6-(1,5-naphthyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[(6R)-4-methyl-6-(1,5-naphthyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone is CN1CCN(C(=O)CC2CCCC2)C[C@H](Cc2ccnc3cccnc23)C1.
What is the InChIKey of 2-cyclopentyl-1-[(6R)-4-methyl-6-(1,5-naphthyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone?
The InChIKey is NFRVJIGDNMBSDS-GOSISDBHSA-N. The full InChI is InChI=1S/C22H30N4O/c1-25-11-12-26(21(27)14-17-5-2-3-6-17)16-18(15-25)13-19-8-10-23-20-7-4-9-24-22(19)20/h4,7-10,17-18H,2-3,5-6,11-16H2,1H3/t18-/m1/s1.
What are the key properties of 2-cyclopentyl-1-[(6R)-4-methyl-6-(1,5-naphthyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone?
2-cyclopentyl-1-[(6R)-4-methyl-6-(1,5-naphthyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone has a molecular weight of 366.51 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[(6R)-4-methyl-6-(1,5-naphthyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 124983695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).