(3R)-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide

C18H22N4O2 — CID 59509012

IUPAC(3R)-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide
SMILESCOc1ccccc1-c1cc(N(C)C(=O)[C@@H]2CCCNC2)ncn1
InChIInChI=1S/C18H22N4O2/c1-22(18(23)13-6-5-9-19-11-13)17-10-15(20-12-21-17)14-7-3-4-8-16(14)24-2/h3-4,7-8,10,12-13,19H,5-6,9,11H2,1-2H3/t13-/m1/s1
InChIKeyLLVLXDYXPDNWEX-CYBMUJFWSA-N
MW326.40 g/mol
LogP2.11
Rot. Bonds4

About (3R)-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide

(3R)-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide (PubChem CID 59509012) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (3R)-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide
PubChem CID59509012
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(3R)-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide
SMILESCOc1ccccc1-c1cc(N(C)C(=O)[C@@H]2CCCNC2)ncn1
InChIInChI=1S/C18H22N4O2/c1-22(18(23)13-6-5-9-19-11-13)17-10-15(20-12-21-17)14-7-3-4-8-16(14)24-2/h3-4,7-8,10,12-13,19H,5-6,9,11H2,1-2H3/t13-/m1/s1
InChIKeyLLVLXDYXPDNWEX-CYBMUJFWSA-N
XLogP2.11
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide (CID 59509012) is (3R)-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide is COc1ccccc1-c1cc(N(C)C(=O)[C@@H]2CCCNC2)ncn1.
What is the InChIKey of (3R)-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide?
The InChIKey is LLVLXDYXPDNWEX-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-22(18(23)13-6-5-9-19-11-13)17-10-15(20-12-21-17)14-7-3-4-8-16(14)24-2/h3-4,7-8,10,12-13,19H,5-6,9,11H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide?
(3R)-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 59509012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).