N-ethyl-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide

C16H20N6O2 — CID 24719420

IUPACN-ethyl-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide
SMILESCCNC(=O)c1cnc(N2CCN(c3ccccn3)CC2)[nH]c1=O
InChIInChI=1S/C16H20N6O2/c1-2-17-14(23)12-11-19-16(20-15(12)24)22-9-7-21(8-10-22)13-5-3-4-6-18-13/h3-6,11H,2,7-10H2,1H3,(H,17,23)(H,19,20,24)
InChIKeyBRRYLTCFCYXFII-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.24
Rot. Bonds4

About N-ethyl-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide

N-ethyl-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide (PubChem CID 24719420) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is N-ethyl-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide
PubChem CID24719420
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC NameN-ethyl-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide
SMILESCCNC(=O)c1cnc(N2CCN(c3ccccn3)CC2)[nH]c1=O
InChIInChI=1S/C16H20N6O2/c1-2-17-14(23)12-11-19-16(20-15(12)24)22-9-7-21(8-10-22)13-5-3-4-6-18-13/h3-6,11H,2,7-10H2,1H3,(H,17,23)(H,19,20,24)
InChIKeyBRRYLTCFCYXFII-UHFFFAOYSA-N
XLogP0.24
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-6-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide
CID 42843956
N-(1,3-benzodioxol-5-ylmethyl)-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide
CID 46028433
N-benzyl-N-methyl-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide
CID 42843972
2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 42844021
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 42843960
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 24719436
N-ethyl-6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridine-3-carboxamide
CID 133307236
5-ethyl-4-(methoxymethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135911496
N-[2-(dimethylamino)ethyl]-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide
CID 126476974
2-(ethylamino)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 62832845
1-methyl-2,4-dioxo-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide
CID 90648225
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-ethyl-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide (CID 24719420) is N-ethyl-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-ethyl-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-ethyl-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide is CCNC(=O)c1cnc(N2CCN(c3ccccn3)CC2)[nH]c1=O.
What is the InChIKey of N-ethyl-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide?
The InChIKey is BRRYLTCFCYXFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-2-17-14(23)12-11-19-16(20-15(12)24)22-9-7-21(8-10-22)13-5-3-4-6-18-13/h3-6,11H,2,7-10H2,1H3,(H,17,23)(H,19,20,24).
What are the key properties of N-ethyl-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide?
N-ethyl-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 24719420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).