[(2R)-1-methylazepan-2-yl]-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone

C19H30N4O — CID 97189052

IUPAC[(2R)-1-methylazepan-2-yl]-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone
SMILESCc1cc(N2CCCN(C(=O)[C@H]3CCCCCN3C)CC2)ccn1
InChIInChI=1S/C19H30N4O/c1-16-15-17(8-9-20-16)22-11-6-12-23(14-13-22)19(24)18-7-4-3-5-10-21(18)2/h8-9,15,18H,3-7,10-14H2,1-2H3/t18-/m1/s1
InChIKeyBXIVZBLTISOEKT-GOSISDBHSA-N
MW330.48 g/mol
LogP2.30
Rot. Bonds2

About [(2R)-1-methylazepan-2-yl]-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone

[(2R)-1-methylazepan-2-yl]-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone (PubChem CID 97189052) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is [(2R)-1-methylazepan-2-yl]-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-1-methylazepan-2-yl]-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone
PubChem CID97189052
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name[(2R)-1-methylazepan-2-yl]-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone
SMILESCc1cc(N2CCCN(C(=O)[C@H]3CCCCCN3C)CC2)ccn1
InChIInChI=1S/C19H30N4O/c1-16-15-17(8-9-20-16)22-11-6-12-23(14-13-22)19(24)18-7-4-3-5-10-21(18)2/h8-9,15,18H,3-7,10-14H2,1-2H3/t18-/m1/s1
InChIKeyBXIVZBLTISOEKT-GOSISDBHSA-N
XLogP2.30
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-methylazepan-2-yl]-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

1-methyl-4-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]imidazolidin-2-one
CID 70725845
[4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylazepan-2-yl)methanone
CID 131927700
N-(1-cyclohexylethyl)-4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide
CID 122565554
(1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854882
[(3S)-3,4-dihydro-2H-chromen-3-yl]-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone
CID 97148569
3,4-dihydro-2H-chromen-2-yl-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone
CID 70710470
cyclobutyl-[4-(1-methylazepane-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 131912157
[4-[3-(1-methylbenzimidazol-2-yl)phenyl]-1,4-diazepan-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone
CID 59568257
4-chloro-1-(2-methyl-4-pyridinyl)azepane
CID 131020856
azepan-1-yl-(1-methylpyrrolidin-2-yl)methanone
CID 110856335
[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone
CID 138809548
[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
CID 146127363

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-methylazepan-2-yl]-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of [(2R)-1-methylazepan-2-yl]-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone (CID 97189052) is [(2R)-1-methylazepan-2-yl]-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for [(2R)-1-methylazepan-2-yl]-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for [(2R)-1-methylazepan-2-yl]-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone is Cc1cc(N2CCCN(C(=O)[C@H]3CCCCCN3C)CC2)ccn1.
What is the InChIKey of [(2R)-1-methylazepan-2-yl]-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is BXIVZBLTISOEKT-GOSISDBHSA-N. The full InChI is InChI=1S/C19H30N4O/c1-16-15-17(8-9-20-16)22-11-6-12-23(14-13-22)19(24)18-7-4-3-5-10-21(18)2/h8-9,15,18H,3-7,10-14H2,1-2H3/t18-/m1/s1.
What are the key properties of [(2R)-1-methylazepan-2-yl]-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone?
[(2R)-1-methylazepan-2-yl]-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 330.48 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-methylazepan-2-yl]-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 97189052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).