2-ethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide

C18H22N4O2 — CID 50966412

IUPAC2-ethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)N(Cc2ccccn2)CC2CCCO2)cn1
InChIInChI=1S/C18H22N4O2/c1-2-17-20-10-14(11-21-17)18(23)22(13-16-7-5-9-24-16)12-15-6-3-4-8-19-15/h3-4,6,8,10-11,16H,2,5,7,9,12-13H2,1H3
InChIKeyGXGBAGKWQSFIAX-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.26
Rot. Bonds6

About 2-ethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide

2-ethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 50966412) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-ethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
PubChem CID50966412
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-ethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)N(Cc2ccccn2)CC2CCCO2)cn1
InChIInChI=1S/C18H22N4O2/c1-2-17-20-10-14(11-21-17)18(23)22(13-16-7-5-9-24-16)12-15-6-3-4-8-19-15/h3-4,6,8,10-11,16H,2,5,7,9,12-13H2,1H3
InChIKeyGXGBAGKWQSFIAX-UHFFFAOYSA-N
XLogP2.26
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Prostaglandin D synthase (hematopoietic-type) inhibitor F092
CID 134812607
(2,6-Dimethylmorpholin-4-yl)-imidazo[1,2-a]pyridin-2-ylmethanone
CID 2999750
N-[6-((R)-2-Methoxymethylpyrrolidin-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]acetamide
CID 25208258
N-[6-((S)-2-Methoxymethylpyrrolidin-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]acetamide
CID 25209990
US10906888, Example 140
CID 134177538
US10906888, Example 177
CID 139580312
US10906888, Example 162
CID 139580336
2-anilino-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3234655
2-(Morpholin-4-yl)-6-phenylpyrido[4,3-d]pyrimidin-5-one
CID 25251819
6-(3-fluorophenyl)-2-(oxolan-2-ylmethylamino)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
CID 53333313
US9868729, Example 9
CID 58014881
2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 117849571

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-ethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide (CID 50966412) is 2-ethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-ethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide is CCc1ncc(C(=O)N(Cc2ccccn2)CC2CCCO2)cn1.
What is the InChIKey of 2-ethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is GXGBAGKWQSFIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-2-17-20-10-14(11-21-17)18(23)22(13-16-7-5-9-24-16)12-15-6-3-4-8-19-15/h3-4,6,8,10-11,16H,2,5,7,9,12-13H2,1H3.
What are the key properties of 2-ethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide?
2-ethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 50966412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).