2-(4-methylpiperidin-1-yl)-N-propylpyrimidine-5-carboxamide

C14H22N4O — CID 109246476

IUPAC2-(4-methylpiperidin-1-yl)-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(N2CCC(C)CC2)nc1
InChIInChI=1S/C14H22N4O/c1-3-6-15-13(19)12-9-16-14(17-10-12)18-7-4-11(2)5-8-18/h9-11H,3-8H2,1-2H3,(H,15,19)
InChIKeyGYLYIHGRGGOKPR-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.85
Rot. Bonds4

About 2-(4-methylpiperidin-1-yl)-N-propylpyrimidine-5-carboxamide

2-(4-methylpiperidin-1-yl)-N-propylpyrimidine-5-carboxamide (PubChem CID 109246476) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-N-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-N-propylpyrimidine-5-carboxamide
PubChem CID109246476
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-(4-methylpiperidin-1-yl)-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(N2CCC(C)CC2)nc1
InChIInChI=1S/C14H22N4O/c1-3-6-15-13(19)12-9-16-14(17-10-12)18-7-4-11(2)5-8-18/h9-11H,3-8H2,1-2H3,(H,15,19)
InChIKeyGYLYIHGRGGOKPR-UHFFFAOYSA-N
XLogP1.85
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109250857
N-cycloheptyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250891
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propylpyrimidine-5-carboxamide
CID 109246524
N-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250918
N-(3-methylbutyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109263399
N-[2-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]amino]-2-oxoethyl]benzamide
CID 122299598
N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3224206
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 51499028
N-(3-methoxypropyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250092
N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253878
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250972
2-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide
CID 109299018

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-N-propylpyrimidine-5-carboxamide?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-N-propylpyrimidine-5-carboxamide (CID 109246476) is 2-(4-methylpiperidin-1-yl)-N-propylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-N-propylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-N-propylpyrimidine-5-carboxamide is CCCNC(=O)c1cnc(N2CCC(C)CC2)nc1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-N-propylpyrimidine-5-carboxamide?
The InChIKey is GYLYIHGRGGOKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-6-15-13(19)12-9-16-14(17-10-12)18-7-4-11(2)5-8-18/h9-11H,3-8H2,1-2H3,(H,15,19).
What are the key properties of 2-(4-methylpiperidin-1-yl)-N-propylpyrimidine-5-carboxamide?
2-(4-methylpiperidin-1-yl)-N-propylpyrimidine-5-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-N-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 109246476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).