N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide

C16H25N5O3 — CID 91781241

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)NC2CCN(CC(N)=O)CC2)nc(=O)[nH]1
InChIInChI=1S/C16H25N5O3/c1-10(2)7-12-8-13(20-16(24)19-12)15(23)18-11-3-5-21(6-4-11)9-14(17)22/h8,10-11H,3-7,9H2,1-2H3,(H2,17,22)(H,18,23)(H,19,20,24)
InChIKeyODWNWEHIMUNZHP-UHFFFAOYSA-N
MW335.41 g/mol
LogP-0.35
Rot. Bonds6

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 91781241) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
PubChem CID91781241
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)NC2CCN(CC(N)=O)CC2)nc(=O)[nH]1
InChIInChI=1S/C16H25N5O3/c1-10(2)7-12-8-13(20-16(24)19-12)15(23)18-11-3-5-21(6-4-11)9-14(17)22/h8,10-11H,3-7,9H2,1-2H3,(H2,17,22)(H,18,23)(H,19,20,24)
InChIKeyODWNWEHIMUNZHP-UHFFFAOYSA-N
XLogP-0.35
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

US11787802, Example 23
CID 169489604
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CID 169489608
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CID 169489623
US11787802, Example 86
CID 169489654
1-[2-[2-[2-(Dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 70784333
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CID 100055639
(2R)-2-amino-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-methylpentanamide
CID 56871875
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6-tert-butyl-N-(1-isopropylpiperidin-4-yl)-2-oxo-2,3-dihydropyrimidine-4-carboxamide
CID 90647828
N-(2-aminocyclohexa-2,4-dien-1-yl)-3-[[2-cyclohexa-2,4-dien-1-ylethylcarbamoyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methyl]-2,3-dihydropyridine-6-carboxamide
CID 145488718
4-methyl-3-[N-(3-methylbut-1-en-2-yl)-C-propan-2-ylcarbonimidoyl]-2,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-1-one
CID 176926992

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide (CID 91781241) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide is CC(C)Cc1cc(C(=O)NC2CCN(CC(N)=O)CC2)nc(=O)[nH]1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is ODWNWEHIMUNZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-10(2)7-12-8-13(20-16(24)19-12)15(23)18-11-3-5-21(6-4-11)9-14(17)22/h8,10-11H,3-7,9H2,1-2H3,(H2,17,22)(H,18,23)(H,19,20,24).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of -0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 91781241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).