2-[4-(6-methylpyridine-2-carbonyl)-1,4-diazepan-1-yl]-N-propylacetamide

C17H26N4O2 — CID 166001796

IUPAC2-[4-(6-methylpyridine-2-carbonyl)-1,4-diazepan-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCCN(C(=O)c2cccc(C)n2)CC1
InChIInChI=1S/C17H26N4O2/c1-3-8-18-16(22)13-20-9-5-10-21(12-11-20)17(23)15-7-4-6-14(2)19-15/h4,6-7H,3,5,8-13H2,1-2H3,(H,18,22)
InChIKeyHVTYWPGPPZOXQU-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.06
Rot. Bonds5

About 2-[4-(6-methylpyridine-2-carbonyl)-1,4-diazepan-1-yl]-N-propylacetamide

2-[4-(6-methylpyridine-2-carbonyl)-1,4-diazepan-1-yl]-N-propylacetamide (PubChem CID 166001796) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[4-(6-methylpyridine-2-carbonyl)-1,4-diazepan-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(6-methylpyridine-2-carbonyl)-1,4-diazepan-1-yl]-N-propylacetamide
PubChem CID166001796
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-[4-(6-methylpyridine-2-carbonyl)-1,4-diazepan-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCCN(C(=O)c2cccc(C)n2)CC1
InChIInChI=1S/C17H26N4O2/c1-3-8-18-16(22)13-20-9-5-10-21(12-11-20)17(23)15-7-4-6-14(2)19-15/h4,6-7H,3,5,8-13H2,1-2H3,(H,18,22)
InChIKeyHVTYWPGPPZOXQU-UHFFFAOYSA-N
XLogP1.06
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxypropyl)-2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 55543914
[4-(2-bromoethyl)-1,4-diazepan-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 80665013
N-(2-ethylphenyl)-2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 32709303
[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 95351719
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 34815059
N-(2-acetamidoethyl)-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide
CID 37110740
2-[4-(8-hydroxyquinoline-2-carbonyl)-1,4-diazepan-1-yl]-N-phenylacetamide
CID 3763026
N-propyl-2-pyrrolidin-1-ylacetamide
CID 22117904
2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-2-oxoacetic acid
CID 167780535
2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-N-propylacetamide
CID 47073428
(4-methyl-1,4-diazepan-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 62240932
N-cyclohexyl-4-(6-methylpyridine-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 138378584

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methylpyridine-2-carbonyl)-1,4-diazepan-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-(6-methylpyridine-2-carbonyl)-1,4-diazepan-1-yl]-N-propylacetamide (CID 166001796) is 2-[4-(6-methylpyridine-2-carbonyl)-1,4-diazepan-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-(6-methylpyridine-2-carbonyl)-1,4-diazepan-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-(6-methylpyridine-2-carbonyl)-1,4-diazepan-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCCN(C(=O)c2cccc(C)n2)CC1.
What is the InChIKey of 2-[4-(6-methylpyridine-2-carbonyl)-1,4-diazepan-1-yl]-N-propylacetamide?
The InChIKey is HVTYWPGPPZOXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-3-8-18-16(22)13-20-9-5-10-21(12-11-20)17(23)15-7-4-6-14(2)19-15/h4,6-7H,3,5,8-13H2,1-2H3,(H,18,22).
What are the key properties of 2-[4-(6-methylpyridine-2-carbonyl)-1,4-diazepan-1-yl]-N-propylacetamide?
2-[4-(6-methylpyridine-2-carbonyl)-1,4-diazepan-1-yl]-N-propylacetamide has a molecular weight of 318.42 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methylpyridine-2-carbonyl)-1,4-diazepan-1-yl]-N-propylacetamide is sourced from PubChem (CID 166001796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).