4-methyl-N-(2-methylpyrimidin-5-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide

C18H23N5O2 — CID 172665797

IUPAC4-methyl-N-(2-methylpyrimidin-5-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1ncc(NC(=O)c2c(C)ccn(CC3CCCNC3)c2=O)cn1
InChIInChI=1S/C18H23N5O2/c1-12-5-7-23(11-14-4-3-6-19-8-14)18(25)16(12)17(24)22-15-9-20-13(2)21-10-15/h5,7,9-10,14,19H,3-4,6,8,11H2,1-2H3,(H,22,24)
InChIKeyCMRDIRVSWGWNHV-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.51
Rot. Bonds4

About 4-methyl-N-(2-methylpyrimidin-5-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide

4-methyl-N-(2-methylpyrimidin-5-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 172665797) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 4-methyl-N-(2-methylpyrimidin-5-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylpyrimidin-5-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID172665797
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name4-methyl-N-(2-methylpyrimidin-5-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1ncc(NC(=O)c2c(C)ccn(CC3CCCNC3)c2=O)cn1
InChIInChI=1S/C18H23N5O2/c1-12-5-7-23(11-14-4-3-6-19-8-14)18(25)16(12)17(24)22-15-9-20-13(2)21-10-15/h5,7,9-10,14,19H,3-4,6,8,11H2,1-2H3,(H,22,24)
InChIKeyCMRDIRVSWGWNHV-UHFFFAOYSA-N
XLogP1.51
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172668125
4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide
CID 172673540
N-(4-fluoro-3-methoxyphenyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172660585
N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172657245
4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-quinazolin-5-ylpyridine-3-carboxamide;dihydrochloride
CID 172911634
N-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172666747
N-(2,4-dimethoxyphenyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172913023
N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172664558
N-[2-(2-fluorophenoxy)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172667879
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172664100
3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;hydrochloride
CID 172912361
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172911176

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylpyrimidin-5-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 4-methyl-N-(2-methylpyrimidin-5-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide (CID 172665797) is 4-methyl-N-(2-methylpyrimidin-5-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-methylpyrimidin-5-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-N-(2-methylpyrimidin-5-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide is Cc1ncc(NC(=O)c2c(C)ccn(CC3CCCNC3)c2=O)cn1.
What is the InChIKey of 4-methyl-N-(2-methylpyrimidin-5-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is CMRDIRVSWGWNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12-5-7-23(11-14-4-3-6-19-8-14)18(25)16(12)17(24)22-15-9-20-13(2)21-10-15/h5,7,9-10,14,19H,3-4,6,8,11H2,1-2H3,(H,22,24).
What are the key properties of 4-methyl-N-(2-methylpyrimidin-5-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?
4-methyl-N-(2-methylpyrimidin-5-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylpyrimidin-5-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172665797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).