6-oxo-N-(1-propylpiperidin-4-yl)-1H-pyrimidine-5-carboxamide

C13H20N4O2 — CID 91769883

IUPAC6-oxo-N-(1-propylpiperidin-4-yl)-1H-pyrimidine-5-carboxamide
SMILESCCCN1CCC(NC(=O)c2cnc[nH]c2=O)CC1
InChIInChI=1S/C13H20N4O2/c1-2-5-17-6-3-10(4-7-17)16-13(19)11-8-14-9-15-12(11)18/h8-10H,2-7H2,1H3,(H,16,19)(H,14,15,18)
InChIKeyGAAOMOIWFUBIOM-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.37
Rot. Bonds4

About 6-oxo-N-(1-propylpiperidin-4-yl)-1H-pyrimidine-5-carboxamide

6-oxo-N-(1-propylpiperidin-4-yl)-1H-pyrimidine-5-carboxamide (PubChem CID 91769883) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-oxo-N-(1-propylpiperidin-4-yl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(1-propylpiperidin-4-yl)-1H-pyrimidine-5-carboxamide
PubChem CID91769883
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name6-oxo-N-(1-propylpiperidin-4-yl)-1H-pyrimidine-5-carboxamide
SMILESCCCN1CCC(NC(=O)c2cnc[nH]c2=O)CC1
InChIInChI=1S/C13H20N4O2/c1-2-5-17-6-3-10(4-7-17)16-13(19)11-8-14-9-15-12(11)18/h8-10H,2-7H2,1H3,(H,16,19)(H,14,15,18)
InChIKeyGAAOMOIWFUBIOM-UHFFFAOYSA-N
XLogP0.37
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-((1r,4r)-4-aminocyclohexyl)-4-hydroxypyrimidine-5-carboxamide
CID 132219876
N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-4-hydroxypyrimidine-5-carboxamide
CID 132227790
N-((1r,4r)-4-(3-aminopropanamido)cyclohexyl)-4-hydroxypyrimidine-5-carboxamide
CID 132228054
1,6-Dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide
CID 214583
5-oxo-2-piperidin-1-yl-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942670
5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 18935581
N-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080908
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 146193144
2-ethylsulfanyl-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 16037878
N-[2-(azepan-1-yl)ethyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 50976814
N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-3-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 56710793
5-({2-[2-(dimethylamino)ethyl]-1-piperidinyl}carbonyl)-2-methyl-4(3H)-pyrimidinone
CID 56914559

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(1-propylpiperidin-4-yl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 6-oxo-N-(1-propylpiperidin-4-yl)-1H-pyrimidine-5-carboxamide (CID 91769883) is 6-oxo-N-(1-propylpiperidin-4-yl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 6-oxo-N-(1-propylpiperidin-4-yl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 6-oxo-N-(1-propylpiperidin-4-yl)-1H-pyrimidine-5-carboxamide is CCCN1CCC(NC(=O)c2cnc[nH]c2=O)CC1.
What is the InChIKey of 6-oxo-N-(1-propylpiperidin-4-yl)-1H-pyrimidine-5-carboxamide?
The InChIKey is GAAOMOIWFUBIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-5-17-6-3-10(4-7-17)16-13(19)11-8-14-9-15-12(11)18/h8-10H,2-7H2,1H3,(H,16,19)(H,14,15,18).
What are the key properties of 6-oxo-N-(1-propylpiperidin-4-yl)-1H-pyrimidine-5-carboxamide?
6-oxo-N-(1-propylpiperidin-4-yl)-1H-pyrimidine-5-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(1-propylpiperidin-4-yl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 91769883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).