5-(cyclopropylmethylamino)-2-methyl-N-(2-methylpyrimidin-5-yl)benzamide

C17H20N4O — CID 144732154

IUPAC5-(cyclopropylmethylamino)-2-methyl-N-(2-methylpyrimidin-5-yl)benzamide
SMILESCc1ncc(NC(=O)c2cc(NCC3CC3)ccc2C)cn1
InChIInChI=1S/C17H20N4O/c1-11-3-6-14(20-8-13-4-5-13)7-16(11)17(22)21-15-9-18-12(2)19-10-15/h3,6-7,9-10,13,20H,4-5,8H2,1-2H3,(H,21,22)
InChIKeyQPNLVSOJCINVOH-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.17
Rot. Bonds5

About 5-(cyclopropylmethylamino)-2-methyl-N-(2-methylpyrimidin-5-yl)benzamide

5-(cyclopropylmethylamino)-2-methyl-N-(2-methylpyrimidin-5-yl)benzamide (PubChem CID 144732154) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-(cyclopropylmethylamino)-2-methyl-N-(2-methylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name5-(cyclopropylmethylamino)-2-methyl-N-(2-methylpyrimidin-5-yl)benzamide
PubChem CID144732154
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name5-(cyclopropylmethylamino)-2-methyl-N-(2-methylpyrimidin-5-yl)benzamide
SMILESCc1ncc(NC(=O)c2cc(NCC3CC3)ccc2C)cn1
InChIInChI=1S/C17H20N4O/c1-11-3-6-14(20-8-13-4-5-13)7-16(11)17(22)21-15-9-18-12(2)19-10-15/h3,6-7,9-10,13,20H,4-5,8H2,1-2H3,(H,21,22)
InChIKeyQPNLVSOJCINVOH-UHFFFAOYSA-N
XLogP3.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-cyclopentylpropanoylamino)-2-methyl-N-[2-(methylamino)pyrimidin-5-yl]benzamide
CID 71215207
3-N-(6-amino-3-pyridinyl)-1-N-(cyclohexylmethyl)-4-methylbenzene-1,3-dicarboxamide
CID 44560639
2-methyl-N-(2-methylpyrimidin-5-yl)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 144732168
N-[4-(cyclopropanecarbonylamino)phenyl]-2,5-dimethylbenzamide
CID 17444073
5-chloro-2-hydroxy-N-(2-methylpyrimidin-5-yl)benzamide
CID 167975567
5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzamide
CID 103842318
N-(cyclopropylmethyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 24670405
3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide;ethane
CID 143414160
5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663
1-N-(cyclopropylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376953
4-(cyclopropylmethylamino)-2-methylbenzenecarbothioamide
CID 81278832
2,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302232

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethylamino)-2-methyl-N-(2-methylpyrimidin-5-yl)benzamide?
The IUPAC name of 5-(cyclopropylmethylamino)-2-methyl-N-(2-methylpyrimidin-5-yl)benzamide (CID 144732154) is 5-(cyclopropylmethylamino)-2-methyl-N-(2-methylpyrimidin-5-yl)benzamide.
What is the SMILES notation for 5-(cyclopropylmethylamino)-2-methyl-N-(2-methylpyrimidin-5-yl)benzamide?
The canonical SMILES for 5-(cyclopropylmethylamino)-2-methyl-N-(2-methylpyrimidin-5-yl)benzamide is Cc1ncc(NC(=O)c2cc(NCC3CC3)ccc2C)cn1.
What is the InChIKey of 5-(cyclopropylmethylamino)-2-methyl-N-(2-methylpyrimidin-5-yl)benzamide?
The InChIKey is QPNLVSOJCINVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-11-3-6-14(20-8-13-4-5-13)7-16(11)17(22)21-15-9-18-12(2)19-10-15/h3,6-7,9-10,13,20H,4-5,8H2,1-2H3,(H,21,22).
What are the key properties of 5-(cyclopropylmethylamino)-2-methyl-N-(2-methylpyrimidin-5-yl)benzamide?
5-(cyclopropylmethylamino)-2-methyl-N-(2-methylpyrimidin-5-yl)benzamide has a molecular weight of 296.37 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethylamino)-2-methyl-N-(2-methylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 144732154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).