5-[4-[4-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-N-methylpyridine-2-carboxamide

C24H32N6O3 — CID 169149082

IUPAC5-[4-[4-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCCc1cnc(C2CCN(C(=O)C3CCN(c4ccc(C(=O)NC)nc4)CC3)CC2)[nH]c1=O
InChIInChI=1S/C24H32N6O3/c1-3-16-14-27-21(28-22(16)31)17-6-12-30(13-7-17)24(33)18-8-10-29(11-9-18)19-4-5-20(26-15-19)23(32)25-2/h4-5,14-15,17-18H,3,6-13H2,1-2H3,(H,25,32)(H,27,28,31)
InChIKeyXZKHQKLSTIMNCI-UHFFFAOYSA-N
MW452.56 g/mol
LogP1.71
Rot. Bonds5

About 5-[4-[4-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-N-methylpyridine-2-carboxamide

5-[4-[4-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 169149082) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is 5-[4-[4-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[4-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID169149082
Molecular FormulaC24H32N6O3
Molecular Weight452.56 g/mol
Exact Mass452.25
IUPAC Name5-[4-[4-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCCc1cnc(C2CCN(C(=O)C3CCN(c4ccc(C(=O)NC)nc4)CC3)CC2)[nH]c1=O
InChIInChI=1S/C24H32N6O3/c1-3-16-14-27-21(28-22(16)31)17-6-12-30(13-7-17)24(33)18-8-10-29(11-9-18)19-4-5-20(26-15-19)23(32)25-2/h4-5,14-15,17-18H,3,6-13H2,1-2H3,(H,25,32)(H,27,28,31)
InChIKeyXZKHQKLSTIMNCI-UHFFFAOYSA-N
XLogP1.71
TPSA111.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[4-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-N-methylpyridine-2-carboxamide (CID 169149082) is 5-[4-[4-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[4-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[4-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-N-methylpyridine-2-carboxamide is CCc1cnc(C2CCN(C(=O)C3CCN(c4ccc(C(=O)NC)nc4)CC3)CC2)[nH]c1=O.
What is the InChIKey of 5-[4-[4-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is XZKHQKLSTIMNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3/c1-3-16-14-27-21(28-22(16)31)17-6-12-30(13-7-17)24(33)18-8-10-29(11-9-18)19-4-5-20(26-15-19)23(32)25-2/h4-5,14-15,17-18H,3,6-13H2,1-2H3,(H,25,32)(H,27,28,31).
What are the key properties of 5-[4-[4-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-N-methylpyridine-2-carboxamide?
5-[4-[4-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 169149082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).