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

C17H20N4O2 — CID 25227433

IUPACN-[6-(2-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCOc1ccccc1-c1cc(NC(=O)C2CCCNC2)ncn1
InChIInChI=1S/C17H20N4O2/c1-23-15-7-3-2-6-13(15)14-9-16(20-11-19-14)21-17(22)12-5-4-8-18-10-12/h2-3,6-7,9,11-12,18H,4-5,8,10H2,1H3,(H,19,20,21,22)
InChIKeyHWNURWPCYJPMQP-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.09
Rot. Bonds4

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

N-[6-(2-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 25227433) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[6-(2-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(2-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
PubChem CID25227433
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[6-(2-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCOc1ccccc1-c1cc(NC(=O)C2CCCNC2)ncn1
InChIInChI=1S/C17H20N4O2/c1-23-15-7-3-2-6-13(15)14-9-16(20-11-19-14)21-17(22)12-5-4-8-18-10-12/h2-3,6-7,9,11-12,18H,4-5,8,10H2,1H3,(H,19,20,21,22)
InChIKeyHWNURWPCYJPMQP-UHFFFAOYSA-N
XLogP2.09
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide
CID 59509083
3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;hydrochloride
CID 67184808
4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 59509099
4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-pyrrolidin-3-ylbenzamide
CID 68915590
N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide
CID 59508971
N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119708664
N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670539
N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]-2-piperidin-2-ylacetamide
CID 11750428
(3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 81141408
N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 18072790
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
CID 107621709
N-(5-fluoro-2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 119336082

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-[6-(2-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide (CID 25227433) is N-[6-(2-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[6-(2-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[6-(2-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide is COc1ccccc1-c1cc(NC(=O)C2CCCNC2)ncn1.
What is the InChIKey of N-[6-(2-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide?
The InChIKey is HWNURWPCYJPMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-23-15-7-3-2-6-13(15)14-9-16(20-11-19-14)21-17(22)12-5-4-8-18-10-12/h2-3,6-7,9,11-12,18H,4-5,8,10H2,1H3,(H,19,20,21,22).
What are the key properties of N-[6-(2-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide?
N-[6-(2-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 25227433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).