7-ethylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide

C10H14N4O3S — CID 173153415

IUPAC7-ethylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
SMILESCCS(=O)(=O)N1CCc2cnc(C(N)=O)nc2C1
InChIInChI=1S/C10H14N4O3S/c1-2-18(16,17)14-4-3-7-5-12-10(9(11)15)13-8(7)6-14/h5H,2-4,6H2,1H3,(H2,11,15)
InChIKeySKOHEZNTFIDYTM-UHFFFAOYSA-N
MW270.31 g/mol
LogP-0.72
Rot. Bonds3

About 7-ethylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide

7-ethylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide (PubChem CID 173153415) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 7-ethylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-ethylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
PubChem CID173153415
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name7-ethylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
SMILESCCS(=O)(=O)N1CCc2cnc(C(N)=O)nc2C1
InChIInChI=1S/C10H14N4O3S/c1-2-18(16,17)14-4-3-7-5-12-10(9(11)15)13-8(7)6-14/h5H,2-4,6H2,1H3,(H2,11,15)
InChIKeySKOHEZNTFIDYTM-UHFFFAOYSA-N
XLogP-0.72
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(3-chloro-4-fluorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153673
7-[(3-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153441
7-(2-phenoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153233
7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153410
7-[(4-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153662
7-(4-tert-butylbenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153318
7-ethylsulfonyl-N-(oxan-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
CID 122181357
7-(3-methoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153405
7-(3-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153608
6-(5-chlorothiophen-2-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxamide
CID 68678265
7-[2-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153406
7-[1-(1H-indol-3-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153513

Frequently Asked Questions

What is the IUPAC name of 7-ethylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-ethylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide (CID 173153415) is 7-ethylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-ethylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-ethylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide is CCS(=O)(=O)N1CCc2cnc(C(N)=O)nc2C1.
What is the InChIKey of 7-ethylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The InChIKey is SKOHEZNTFIDYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c1-2-18(16,17)14-4-3-7-5-12-10(9(11)15)13-8(7)6-14/h5H,2-4,6H2,1H3,(H2,11,15).
What are the key properties of 7-ethylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
7-ethylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide has a molecular weight of 270.31 g/mol, XLogP of -0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 173153415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).