(4-methoxy-2-pyridinyl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone

C18H23N3O3 — CID 134706142

IUPAC(4-methoxy-2-pyridinyl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone
SMILESCOc1ccnc(C(=O)N2CCCN(Cc3ccc(C)o3)CC2)c1
InChIInChI=1S/C18H23N3O3/c1-14-4-5-16(24-14)13-20-8-3-9-21(11-10-20)18(22)17-12-15(23-2)6-7-19-17/h4-7,12H,3,8-11,13H2,1-2H3
InChIKeyRPBDBKXWLDYEQT-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.34
Rot. Bonds4

About (4-methoxy-2-pyridinyl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone

(4-methoxy-2-pyridinyl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone (PubChem CID 134706142) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (4-methoxy-2-pyridinyl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxy-2-pyridinyl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone
PubChem CID134706142
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(4-methoxy-2-pyridinyl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone
SMILESCOc1ccnc(C(=O)N2CCCN(Cc3ccc(C)o3)CC2)c1
InChIInChI=1S/C18H23N3O3/c1-14-4-5-16(24-14)13-20-8-3-9-21(11-10-20)18(22)17-12-15(23-2)6-7-19-17/h4-7,12H,3,8-11,13H2,1-2H3
InChIKeyRPBDBKXWLDYEQT-UHFFFAOYSA-N
XLogP2.34
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methoxy-2-pyridinyl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(4-methoxy-2-pyridinyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 75371941
2-(4-methoxyphenyl)-1-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 134706431
1,3-benzothiazol-5-yl-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 134704458
6-[4-(4-methoxypyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 135105208
(1,5-dimethylindol-2-yl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 134706914
[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 42501917
(5-bromo-1-benzofuran-2-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 46438689
2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055264
[9-[(5-methylfuran-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-(1,3-thiazol-4-yl)methanone
CID 97370681
1-[4-(4-methoxypyridine-2-carbonyl)-1,4-diazepan-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one
CID 135109460
formic acid;(4-methoxy-2-pyridinyl)-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 154919272
[4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203696

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-pyridinyl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone?
The IUPAC name of (4-methoxy-2-pyridinyl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone (CID 134706142) is (4-methoxy-2-pyridinyl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (4-methoxy-2-pyridinyl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (4-methoxy-2-pyridinyl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone is COc1ccnc(C(=O)N2CCCN(Cc3ccc(C)o3)CC2)c1.
What is the InChIKey of (4-methoxy-2-pyridinyl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone?
The InChIKey is RPBDBKXWLDYEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-14-4-5-16(24-14)13-20-8-3-9-21(11-10-20)18(22)17-12-15(23-2)6-7-19-17/h4-7,12H,3,8-11,13H2,1-2H3.
What are the key properties of (4-methoxy-2-pyridinyl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone?
(4-methoxy-2-pyridinyl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone has a molecular weight of 329.40 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-pyridinyl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 134706142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).