1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2-oxopyridine-3-carboxamide

C17H21N5O3 — CID 136662600

IUPAC1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2-oxopyridine-3-carboxamide
SMILESCc1cc(=O)[nH]c(N2CCC(NC(=O)c3cccn(C)c3=O)CC2)n1
InChIInChI=1S/C17H21N5O3/c1-11-10-14(23)20-17(18-11)22-8-5-12(6-9-22)19-15(24)13-4-3-7-21(2)16(13)25/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,19,24)(H,18,20,23)
InChIKeyZIOJNYIHICTLRC-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.18
Rot. Bonds3

About 1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2-oxopyridine-3-carboxamide

1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2-oxopyridine-3-carboxamide (PubChem CID 136662600) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2-oxopyridine-3-carboxamide
PubChem CID136662600
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2-oxopyridine-3-carboxamide
SMILESCc1cc(=O)[nH]c(N2CCC(NC(=O)c3cccn(C)c3=O)CC2)n1
InChIInChI=1S/C17H21N5O3/c1-11-10-14(23)20-17(18-11)22-8-5-12(6-9-22)19-15(24)13-4-3-7-21(2)16(13)25/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,19,24)(H,18,20,23)
InChIKeyZIOJNYIHICTLRC-UHFFFAOYSA-N
XLogP0.18
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2-oxopyridine-3-carboxamide (CID 136662600) is 1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2-oxopyridine-3-carboxamide is Cc1cc(=O)[nH]c(N2CCC(NC(=O)c3cccn(C)c3=O)CC2)n1.
What is the InChIKey of 1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2-oxopyridine-3-carboxamide?
The InChIKey is ZIOJNYIHICTLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-11-10-14(23)20-17(18-11)22-8-5-12(6-9-22)19-15(24)13-4-3-7-21(2)16(13)25/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,19,24)(H,18,20,23).
What are the key properties of 1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2-oxopyridine-3-carboxamide?
1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2-oxopyridine-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 136662600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).