N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]pyridine-2-carboxamide

C17H21N5O2 — CID 90492267

IUPACN-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]pyridine-2-carboxamide
SMILESCc1nc(OCCNC(=O)c2ccccn2)cc(N2CCCC2)n1
InChIInChI=1S/C17H21N5O2/c1-13-20-15(22-9-4-5-10-22)12-16(21-13)24-11-8-19-17(23)14-6-2-3-7-18-14/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,19,23)
InChIKeyGMZAOYSGUBZGBV-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.59
Rot. Bonds6

About N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]pyridine-2-carboxamide

N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]pyridine-2-carboxamide (PubChem CID 90492267) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]pyridine-2-carboxamide
PubChem CID90492267
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]pyridine-2-carboxamide
SMILESCc1nc(OCCNC(=O)c2ccccn2)cc(N2CCCC2)n1
InChIInChI=1S/C17H21N5O2/c1-13-20-15(22-9-4-5-10-22)12-16(21-13)24-11-8-19-17(23)14-6-2-3-7-18-14/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,19,23)
InChIKeyGMZAOYSGUBZGBV-UHFFFAOYSA-N
XLogP1.59
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90492269
2-chloro-6-fluoro-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90492135
3-chloro-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90491961
2-(3-methylphenyl)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
CID 90492143
N-(2-methoxyethyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109364861
2-ethoxy-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]naphthalene-1-carboxamide
CID 90492128
4-acetamido-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90492069
4-butoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90491896
2,3-dimethoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90491865
5-methyl-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]-1-phenylpyrazole-4-carboxamide
CID 90492072
N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]cyclobutanecarboxamide
CID 90492360
5-(furan-2-yl)-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]-1H-pyrazole-3-carboxamide
CID 90492065

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]pyridine-2-carboxamide (CID 90492267) is N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]pyridine-2-carboxamide is Cc1nc(OCCNC(=O)c2ccccn2)cc(N2CCCC2)n1.
What is the InChIKey of N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]pyridine-2-carboxamide?
The InChIKey is GMZAOYSGUBZGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-13-20-15(22-9-4-5-10-22)12-16(21-13)24-11-8-19-17(23)14-6-2-3-7-18-14/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,19,23).
What are the key properties of N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]pyridine-2-carboxamide?
N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]pyridine-2-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]pyridine-2-carboxamide is sourced from PubChem (CID 90492267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).