2-amino-3-methyl-N-[4-(4-methylpyrimidin-2-yl)phenyl]pentanamide;hydrochloride

C17H23ClN4O — CID 119790178

IUPAC2-amino-3-methyl-N-[4-(4-methylpyrimidin-2-yl)phenyl]pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc(-c2nccc(C)n2)cc1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-4-11(2)15(18)17(22)21-14-7-5-13(6-8-14)16-19-10-9-12(3)20-16;/h5-11,15H,4,18H2,1-3H3,(H,21,22);1H
InChIKeyTYALECOGGMGKCV-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.19
Rot. Bonds5

About 2-amino-3-methyl-N-[4-(4-methylpyrimidin-2-yl)phenyl]pentanamide;hydrochloride

2-amino-3-methyl-N-[4-(4-methylpyrimidin-2-yl)phenyl]pentanamide;hydrochloride (PubChem CID 119790178) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[4-(4-methylpyrimidin-2-yl)phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-[4-(4-methylpyrimidin-2-yl)phenyl]pentanamide;hydrochloride
PubChem CID119790178
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name2-amino-3-methyl-N-[4-(4-methylpyrimidin-2-yl)phenyl]pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc(-c2nccc(C)n2)cc1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-4-11(2)15(18)17(22)21-14-7-5-13(6-8-14)16-19-10-9-12(3)20-16;/h5-11,15H,4,18H2,1-3H3,(H,21,22);1H
InChIKeyTYALECOGGMGKCV-UHFFFAOYSA-N
XLogP3.19
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methyl-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride
CID 119832869
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096
(2S,3S)-2-amino-3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 61274193
4-[(2-amino-3-methylpentanoyl)amino]benzamide
CID 24711827
2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
CID 119671236
2-amino-3-methyl-N-(2-phenylpyrimidin-5-yl)pentanamide
CID 43709265
methyl 4-[(2-amino-3-methylpentanoyl)amino]benzoate
CID 61258918
(2S)-2-amino-N-(4-iodophenyl)-3-methylpentanamide
CID 61173167
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
2-amino-3-methyl-N-[4-(1-methylbenzimidazol-2-yl)phenyl]pentanamide;hydrochloride
CID 119822813
(2S)-2-amino-N-[4-(ethylsulfonylamino)phenyl]-3-methylpentanamide
CID 61172500

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[4-(4-methylpyrimidin-2-yl)phenyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-3-methyl-N-[4-(4-methylpyrimidin-2-yl)phenyl]pentanamide;hydrochloride (CID 119790178) is 2-amino-3-methyl-N-[4-(4-methylpyrimidin-2-yl)phenyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-[4-(4-methylpyrimidin-2-yl)phenyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-[4-(4-methylpyrimidin-2-yl)phenyl]pentanamide;hydrochloride is CCC(C)C(N)C(=O)Nc1ccc(-c2nccc(C)n2)cc1.Cl.
What is the InChIKey of 2-amino-3-methyl-N-[4-(4-methylpyrimidin-2-yl)phenyl]pentanamide;hydrochloride?
The InChIKey is TYALECOGGMGKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.ClH/c1-4-11(2)15(18)17(22)21-14-7-5-13(6-8-14)16-19-10-9-12(3)20-16;/h5-11,15H,4,18H2,1-3H3,(H,21,22);1H.
What are the key properties of 2-amino-3-methyl-N-[4-(4-methylpyrimidin-2-yl)phenyl]pentanamide;hydrochloride?
2-amino-3-methyl-N-[4-(4-methylpyrimidin-2-yl)phenyl]pentanamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[4-(4-methylpyrimidin-2-yl)phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 119790178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).