N-methyl-N-(piperidin-3-ylmethyl)pyrimidine-5-carboxamide

C12H18N4O — CID 106627674

IUPACN-methyl-N-(piperidin-3-ylmethyl)pyrimidine-5-carboxamide
SMILESCN(CC1CCCNC1)C(=O)c1cncnc1
InChIInChI=1S/C12H18N4O/c1-16(8-10-3-2-4-13-5-10)12(17)11-6-14-9-15-7-11/h6-7,9-10,13H,2-5,8H2,1H3
InChIKeyVVWIBVYVENDKEZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.55
Rot. Bonds3

About N-methyl-N-(piperidin-3-ylmethyl)pyrimidine-5-carboxamide

N-methyl-N-(piperidin-3-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 106627674) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-methyl-N-(piperidin-3-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(piperidin-3-ylmethyl)pyrimidine-5-carboxamide
PubChem CID106627674
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-methyl-N-(piperidin-3-ylmethyl)pyrimidine-5-carboxamide
SMILESCN(CC1CCCNC1)C(=O)c1cncnc1
InChIInChI=1S/C12H18N4O/c1-16(8-10-3-2-4-13-5-10)12(17)11-6-14-9-15-7-11/h6-7,9-10,13H,2-5,8H2,1H3
InChIKeyVVWIBVYVENDKEZ-UHFFFAOYSA-N
XLogP0.55
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[[(3R)-piperidin-3-yl]methyl]pyrazine-2-carboxamide
CID 97164409
N-methyl-N-(piperidin-3-ylmethyl)pyrazine-2-carboxamide
CID 71642090
N-methyl-N-(piperidin-3-ylmethyl)-5-(triazol-1-yl)pyridine-3-carboxamide
CID 167945109
3-chloro-N,5-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627859
5-bromo-N-methyl-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide
CID 114021534
4-chloro-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107990969
4-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627732
N,3-dimethyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide
CID 106627878
N-methyl-N-(piperidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 71642081
N-ethyl-5-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 106629522
2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107940298
2-chloro-5-hydroxy-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627741

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-3-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-N-(piperidin-3-ylmethyl)pyrimidine-5-carboxamide (CID 106627674) is N-methyl-N-(piperidin-3-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-N-(piperidin-3-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-N-(piperidin-3-ylmethyl)pyrimidine-5-carboxamide is CN(CC1CCCNC1)C(=O)c1cncnc1.
What is the InChIKey of N-methyl-N-(piperidin-3-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is VVWIBVYVENDKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-16(8-10-3-2-4-13-5-10)12(17)11-6-14-9-15-7-11/h6-7,9-10,13H,2-5,8H2,1H3.
What are the key properties of N-methyl-N-(piperidin-3-ylmethyl)pyrimidine-5-carboxamide?
N-methyl-N-(piperidin-3-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-3-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 106627674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).