N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide

C17H26N4O2 — CID 91796913

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide
SMILESCc1cc(C)nc(CCNC(=O)CCN2CCCCCC2=O)n1
InChIInChI=1S/C17H26N4O2/c1-13-12-14(2)20-15(19-13)7-9-18-16(22)8-11-21-10-5-3-4-6-17(21)23/h12H,3-11H2,1-2H3,(H,18,22)
InChIKeyHBMIFTOWXQPJQX-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.54
Rot. Bonds6

About N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide

N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide (PubChem CID 91796913) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide
PubChem CID91796913
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide
SMILESCc1cc(C)nc(CCNC(=O)CCN2CCCCCC2=O)n1
InChIInChI=1S/C17H26N4O2/c1-13-12-14(2)20-15(19-13)7-9-18-16(22)8-11-21-10-5-3-4-6-17(21)23/h12H,3-11H2,1-2H3,(H,18,22)
InChIKeyHBMIFTOWXQPJQX-UHFFFAOYSA-N
XLogP1.54
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide
CID 131926036
N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(2-oxoazepan-1-yl)propanamide
CID 122562630
4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanoic acid
CID 139516844
4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanamide
CID 139517074
3-(2-oxoazepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide
CID 122570220
3-(3,4-dimethylphenyl)sulfanyl-N-[3-(2-oxoazepan-1-yl)propyl]propanamide
CID 78791575
N-(cyclobutylmethyl)-3-[3-(2-oxoazepan-1-yl)propanoylamino]propanamide
CID 167261062
N-[2-(2-oxopiperidin-1-yl)ethyl]propanamide
CID 110722707
N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide
CID 131922700
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 131930494
N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 91760078
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 91838881

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide (CID 91796913) is N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide is Cc1cc(C)nc(CCNC(=O)CCN2CCCCCC2=O)n1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide?
The InChIKey is HBMIFTOWXQPJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13-12-14(2)20-15(19-13)7-9-18-16(22)8-11-21-10-5-3-4-6-17(21)23/h12H,3-11H2,1-2H3,(H,18,22).
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide has a molecular weight of 318.42 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide is sourced from PubChem (CID 91796913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).