N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide

C19H24N4O2 — CID 59508971

IUPACN-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide
SMILESCCOc1ccccc1-c1cc(NC(=O)C2CCN(C)CC2)ncn1
InChIInChI=1S/C19H24N4O2/c1-3-25-17-7-5-4-6-15(17)16-12-18(21-13-20-16)22-19(24)14-8-10-23(2)11-9-14/h4-7,12-14H,3,8-11H2,1-2H3,(H,20,21,22,24)
InChIKeyMUQYKIUNAGOJHH-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.82
Rot. Bonds5

About N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide

N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide (PubChem CID 59508971) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide
PubChem CID59508971
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide
SMILESCCOc1ccccc1-c1cc(NC(=O)C2CCN(C)CC2)ncn1
InChIInChI=1S/C19H24N4O2/c1-3-25-17-7-5-4-6-15(17)16-12-18(21-13-20-16)22-19(24)14-8-10-23(2)11-9-14/h4-7,12-14H,3,8-11H2,1-2H3,(H,20,21,22,24)
InChIKeyMUQYKIUNAGOJHH-UHFFFAOYSA-N
XLogP2.82
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide
CID 59509083
N-[6-(2-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 25227433
3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;hydrochloride
CID 67184808
N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-2-[2-(methylamino)ethyl]pentanamide
CID 163664210
1-butanoyl-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55895483
2-ethoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543723
2-(2-ethoxyphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 86907088
4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 59509099
N-[6-(2-ethoxyphenyl)-1H-indazol-3-yl]cyclopentanecarboxamide
CID 69065075
1-(2-amino-2-oxoethyl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 16909193
N-(2-ethoxy-4-fluorophenyl)-1-(1-methylpiperidine-4-carbonyl)azetidine-3-carboxamide
CID 92633104
N-[2-(2-ethoxyphenyl)ethyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine
CID 130428592

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide (CID 59508971) is N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide is CCOc1ccccc1-c1cc(NC(=O)C2CCN(C)CC2)ncn1.
What is the InChIKey of N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide?
The InChIKey is MUQYKIUNAGOJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-25-17-7-5-4-6-15(17)16-12-18(21-13-20-16)22-19(24)14-8-10-23(2)11-9-14/h4-7,12-14H,3,8-11H2,1-2H3,(H,20,21,22,24).
What are the key properties of N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide?
N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 59508971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).