N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidine-5-carboxamide

C11H14N4O — CID 102922374

IUPACN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidine-5-carboxamide
SMILESO=C(NCC1=CCNCC1)c1cncnc1
InChIInChI=1S/C11H14N4O/c16-11(10-6-13-8-14-7-10)15-5-9-1-3-12-4-2-9/h1,6-8,12H,2-5H2,(H,15,16)
InChIKeyKYNXGHDYAVSIAG-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.13
Rot. Bonds3

About N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidine-5-carboxamide

N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 102922374) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidine-5-carboxamide
PubChem CID102922374
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidine-5-carboxamide
SMILESO=C(NCC1=CCNCC1)c1cncnc1
InChIInChI=1S/C11H14N4O/c16-11(10-6-13-8-14-7-10)15-5-9-1-3-12-4-2-9/h1,6-8,12H,2-5H2,(H,15,16)
InChIKeyKYNXGHDYAVSIAG-UHFFFAOYSA-N
XLogP0.13
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
CID 114693994
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiadiazole-5-carboxamide
CID 114693928
4-hydroxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 107672292
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-indazole-6-carboxamide
CID 114693720
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide
CID 114693829
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide
CID 114693648
3-chloro-4-iodo-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 104954986
3-bromo-4-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 104954975
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103121101
2-chloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 114693546
2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 114693924
2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridine-3-carboxamide
CID 114693767

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidine-5-carboxamide (CID 102922374) is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidine-5-carboxamide is O=C(NCC1=CCNCC1)c1cncnc1.
What is the InChIKey of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is KYNXGHDYAVSIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c16-11(10-6-13-8-14-7-10)15-5-9-1-3-12-4-2-9/h1,6-8,12H,2-5H2,(H,15,16).
What are the key properties of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidine-5-carboxamide?
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 102922374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).