2-(3-methylphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide

C17H20N4O — CID 122298207

IUPAC2-(3-methylphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
SMILESCc1cccc(CC(=O)Nc2cnc(N3CCCC3)nc2)c1
InChIInChI=1S/C17H20N4O/c1-13-5-4-6-14(9-13)10-16(22)20-15-11-18-17(19-12-15)21-7-2-3-8-21/h4-6,9,11-12H,2-3,7-8,10H2,1H3,(H,20,22)
InChIKeyRSYQEXFANVLQJO-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.57
Rot. Bonds4

About 2-(3-methylphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide

2-(3-methylphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide (PubChem CID 122298207) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
PubChem CID122298207
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-(3-methylphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
SMILESCc1cccc(CC(=O)Nc2cnc(N3CCCC3)nc2)c1
InChIInChI=1S/C17H20N4O/c1-13-5-4-6-14(9-13)10-16(22)20-15-11-18-17(19-12-15)21-7-2-3-8-21/h4-6,9,11-12H,2-3,7-8,10H2,1H3,(H,20,22)
InChIKeyRSYQEXFANVLQJO-UHFFFAOYSA-N
XLogP2.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 122298592
2-(4-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 53164666
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(3-methylphenyl)acetamide
CID 122356580
2-(3-methylphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
CID 122300273
3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298426
2-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 122298244
N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113011160
N-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113015543
N-(3-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110649572
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)butanamide
CID 71789958
2-(3-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 110712574
2-(3-methylphenyl)-N-phenylacetamide
CID 6470005

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide (CID 122298207) is 2-(3-methylphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide is Cc1cccc(CC(=O)Nc2cnc(N3CCCC3)nc2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide?
The InChIKey is RSYQEXFANVLQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-13-5-4-6-14(9-13)10-16(22)20-15-11-18-17(19-12-15)21-7-2-3-8-21/h4-6,9,11-12H,2-3,7-8,10H2,1H3,(H,20,22).
What are the key properties of 2-(3-methylphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide?
2-(3-methylphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide has a molecular weight of 296.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide is sourced from PubChem (CID 122298207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).