ethane;N-(2-methylpyrimidin-4-yl)pentanamide

C12H21N3O — CID 143608793

IUPACethane;N-(2-methylpyrimidin-4-yl)pentanamide
SMILESCC.CCCCC(=O)Nc1ccnc(C)n1
InChIInChI=1S/C10H15N3O.C2H6/c1-3-4-5-10(14)13-9-6-7-11-8(2)12-9;1-2/h6-7H,3-5H2,1-2H3,(H,11,12,13,14);1-2H3
InChIKeyLUKZBAJZHXHUNN-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.94
Rot. Bonds4

About ethane;N-(2-methylpyrimidin-4-yl)pentanamide

ethane;N-(2-methylpyrimidin-4-yl)pentanamide (PubChem CID 143608793) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is ethane;N-(2-methylpyrimidin-4-yl)pentanamide.

Molecular Properties

Compound Nameethane;N-(2-methylpyrimidin-4-yl)pentanamide
PubChem CID143608793
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Nameethane;N-(2-methylpyrimidin-4-yl)pentanamide
SMILESCC.CCCCC(=O)Nc1ccnc(C)n1
InChIInChI=1S/C10H15N3O.C2H6/c1-3-4-5-10(14)13-9-6-7-11-8(2)12-9;1-2/h6-7H,3-5H2,1-2H3,(H,11,12,13,14);1-2H3
InChIKeyLUKZBAJZHXHUNN-UHFFFAOYSA-N
XLogP2.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;N-(2-methylpyrimidin-4-yl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-bromo-6-methyl-2-pyridinyl)pentanamide
CID 2996808
N-butyl-2-methylpyrimidin-4-amine
CID 62785690
N-(4-methyl-2-pyridinyl)undecanamide
CID 3659858
(2S)-2-[(2-methylpyrimidin-4-yl)amino]hexanoic acid
CID 122062830
N-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide
CID 11038419
N-[6-(undecanoylamino)-2-pyridinyl]dodecanamide
CID 101442784
N-(6-fluoro-2-pyridinyl)pentanamide
CID 104820722
N-pyrazin-2-ylpentanamide
CID 91469646
N-[6-(hydroxymethyl)-2-pyridinyl]pentanamide
CID 82343736
N-pyrimidin-4-yltetradecanamide
CID 54258014
2-ethylsulfonyl-N-(2-methylpyrimidin-4-yl)benzamide
CID 91642997
N-[6-(pentanoylamino)-3-pyridinyl]pentanamide
CID 649725

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methylpyrimidin-4-yl)pentanamide?
The IUPAC name of ethane;N-(2-methylpyrimidin-4-yl)pentanamide (CID 143608793) is ethane;N-(2-methylpyrimidin-4-yl)pentanamide.
What is the SMILES notation for ethane;N-(2-methylpyrimidin-4-yl)pentanamide?
The canonical SMILES for ethane;N-(2-methylpyrimidin-4-yl)pentanamide is CC.CCCCC(=O)Nc1ccnc(C)n1.
What is the InChIKey of ethane;N-(2-methylpyrimidin-4-yl)pentanamide?
The InChIKey is LUKZBAJZHXHUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O.C2H6/c1-3-4-5-10(14)13-9-6-7-11-8(2)12-9;1-2/h6-7H,3-5H2,1-2H3,(H,11,12,13,14);1-2H3.
What are the key properties of ethane;N-(2-methylpyrimidin-4-yl)pentanamide?
ethane;N-(2-methylpyrimidin-4-yl)pentanamide has a molecular weight of 223.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methylpyrimidin-4-yl)pentanamide is sourced from PubChem (CID 143608793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).