1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C23H26N6O2 — CID 137273736

IUPAC1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCc1nc(-c2ccc(N3CCC(C(=O)NCc4cccnc4)CC3)nc2)[nH]c(=O)c1C
InChIInChI=1S/C23H26N6O2/c1-15-16(2)27-21(28-22(15)30)19-5-6-20(25-14-19)29-10-7-18(8-11-29)23(31)26-13-17-4-3-9-24-12-17/h3-6,9,12,14,18H,7-8,10-11,13H2,1-2H3,(H,26,31)(H,27,28,30)
InChIKeyFLEVMJJZETZBBM-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.38
Rot. Bonds5

About 1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 137273736) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID137273736
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCc1nc(-c2ccc(N3CCC(C(=O)NCc4cccnc4)CC3)nc2)[nH]c(=O)c1C
InChIInChI=1S/C23H26N6O2/c1-15-16(2)27-21(28-22(15)30)19-5-6-20(25-14-19)29-10-7-18(8-11-29)23(31)26-13-17-4-3-9-24-12-17/h3-6,9,12,14,18H,7-8,10-11,13H2,1-2H3,(H,26,31)(H,27,28,30)
InChIKeyFLEVMJJZETZBBM-UHFFFAOYSA-N
XLogP2.38
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 137275001
2-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137262921
1-(4-methyl-5-nitro-2-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133329016
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133276362
1-(4-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3590836
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 90519455
1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 29133526
1-(6-phenylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 90518966
6-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053589
1-(6-phenylpyridazin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 30866618
1-[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 50783103
1-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 796244

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 137273736) is 1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is Cc1nc(-c2ccc(N3CCC(C(=O)NCc4cccnc4)CC3)nc2)[nH]c(=O)c1C.
What is the InChIKey of 1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is FLEVMJJZETZBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-15-16(2)27-21(28-22(15)30)19-5-6-20(25-14-19)29-10-7-18(8-11-29)23(31)26-13-17-4-3-9-24-12-17/h3-6,9,12,14,18H,7-8,10-11,13H2,1-2H3,(H,26,31)(H,27,28,30).
What are the key properties of 1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 137273736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).