3,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide

C19H24N4O3 — CID 122299547

IUPAC3,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2cnc(N3CCC(C)CC3)nc2)cc1OC
InChIInChI=1S/C19H24N4O3/c1-13-6-8-23(9-7-13)19-20-11-15(12-21-19)22-18(24)14-4-5-16(25-2)17(10-14)26-3/h4-5,10-13H,6-9H2,1-3H3,(H,22,24)
InChIKeyHIRVMLPAMKIULN-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.98
Rot. Bonds5

About 3,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide

3,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide (PubChem CID 122299547) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide
PubChem CID122299547
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name3,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2cnc(N3CCC(C)CC3)nc2)cc1OC
InChIInChI=1S/C19H24N4O3/c1-13-6-8-23(9-7-13)19-20-11-15(12-21-19)22-18(24)14-4-5-16(25-2)17(10-14)26-3/h4-5,10-13H,6-9H2,1-3H3,(H,22,24)
InChIKeyHIRVMLPAMKIULN-UHFFFAOYSA-N
XLogP2.98
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide
CID 122299943
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide
CID 122299773
2-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109265005
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]pyridine-2-carboxamide
CID 122299599
N-(3,4-dimethoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103257
2-(4-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
CID 109166542
N-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250918
N-(3,4-dimethoxyphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
CID 109052372
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]pyrazine-2-carboxamide
CID 122299597
N-[6-(cyclohexylamino)-3-pyridinyl]-3,4-dimethoxybenzamide
CID 113010066
N-(3-chloro-4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264466
4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164846

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide (CID 122299547) is 3,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide is COc1ccc(C(=O)Nc2cnc(N3CCC(C)CC3)nc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide?
The InChIKey is HIRVMLPAMKIULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13-6-8-23(9-7-13)19-20-11-15(12-21-19)22-18(24)14-4-5-16(25-2)17(10-14)26-3/h4-5,10-13H,6-9H2,1-3H3,(H,22,24).
What are the key properties of 3,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide?
3,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide has a molecular weight of 356.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 122299547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).