N-(methoxymethyl)-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide

C12H16N4O2 — CID 68700554

IUPACN-(methoxymethyl)-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCOCNC(=O)C1=CCN(c2ncccn2)CC1
InChIInChI=1S/C12H16N4O2/c1-18-9-15-11(17)10-3-7-16(8-4-10)12-13-5-2-6-14-12/h2-3,5-6H,4,7-9H2,1H3,(H,15,17)
InChIKeyGGXKQXSPUVUVLW-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.33
Rot. Bonds4

About N-(methoxymethyl)-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide

N-(methoxymethyl)-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 68700554) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-(methoxymethyl)-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(methoxymethyl)-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID68700554
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-(methoxymethyl)-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCOCNC(=O)C1=CCN(c2ncccn2)CC1
InChIInChI=1S/C12H16N4O2/c1-18-9-15-11(17)10-3-7-16(8-4-10)12-13-5-2-6-14-12/h2-3,5-6H,4,7-9H2,1H3,(H,15,17)
InChIKeyGGXKQXSPUVUVLW-UHFFFAOYSA-N
XLogP0.33
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-pyrimidin-2-yl-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 11235292
N-(3-methoxypropyl)-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108943296
N-(3-methoxypropyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 651470
methyl 4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoate
CID 110756099
N-(2-methoxyethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
CID 62575110
N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 27104437
2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine
CID 171069544
2-(2-methoxyethyl)-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine
CID 110927938
(2S)-2-amino-4-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pentanamide
CID 119902328
1-(2-methoxyethyl)-5-oxo-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 131917365
N-[2-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]propoxy]-1-[5-(trifluoromethyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 171478241
2-ethyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide
CID 112994682

Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of N-(methoxymethyl)-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide (CID 68700554) is N-(methoxymethyl)-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for N-(methoxymethyl)-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for N-(methoxymethyl)-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide is COCNC(=O)C1=CCN(c2ncccn2)CC1.
What is the InChIKey of N-(methoxymethyl)-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is GGXKQXSPUVUVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-18-9-15-11(17)10-3-7-16(8-4-10)12-13-5-2-6-14-12/h2-3,5-6H,4,7-9H2,1H3,(H,15,17).
What are the key properties of N-(methoxymethyl)-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide?
N-(methoxymethyl)-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 68700554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).