N-[2-(diethylamino)-2-thiophen-3-ylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C18H25N5OS — CID 166251761

IUPACN-[2-(diethylamino)-2-thiophen-3-ylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCN(CC)C(CNC(=O)N1CCc2ncncc2C1)c1ccsc1
InChIInChI=1S/C18H25N5OS/c1-3-22(4-2)17(14-6-8-25-12-14)10-20-18(24)23-7-5-16-15(11-23)9-19-13-21-16/h6,8-9,12-13,17H,3-5,7,10-11H2,1-2H3,(H,20,24)
InChIKeyCAVJUABOOABANY-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.69
Rot. Bonds6

About N-[2-(diethylamino)-2-thiophen-3-ylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

N-[2-(diethylamino)-2-thiophen-3-ylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 166251761) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-thiophen-3-ylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-thiophen-3-ylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID166251761
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC NameN-[2-(diethylamino)-2-thiophen-3-ylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCN(CC)C(CNC(=O)N1CCc2ncncc2C1)c1ccsc1
InChIInChI=1S/C18H25N5OS/c1-3-22(4-2)17(14-6-8-25-12-14)10-20-18(24)23-7-5-16-15(11-23)9-19-13-21-16/h6,8-9,12-13,17H,3-5,7,10-11H2,1-2H3,(H,20,24)
InChIKeyCAVJUABOOABANY-UHFFFAOYSA-N
XLogP2.69
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(diethylamino)-2-thiophen-3-ylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 94030968
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 47030817
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dihydroisoindole-2-carboxamide;hydrochloride
CID 134307213
4-(4-acetylphenyl)-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]piperazine-1-carboxamide
CID 38391003
N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 121183340
(2R)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-2-carboxamide
CID 94172389
5-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]pyridine-3-carboxamide
CID 39214471
4-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-1,4-diazepane-1-carboxamide
CID 94030978
N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 39209124
N-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]benzamide
CID 90620998
N-[2-(4-methyl-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 167750936
N-(2-methylpropyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147267

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 166251761) is N-[2-(diethylamino)-2-thiophen-3-ylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CCN(CC)C(CNC(=O)N1CCc2ncncc2C1)c1ccsc1.
What is the InChIKey of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is CAVJUABOOABANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-3-22(4-2)17(14-6-8-25-12-14)10-20-18(24)23-7-5-16-15(11-23)9-19-13-21-16/h6,8-9,12-13,17H,3-5,7,10-11H2,1-2H3,(H,20,24).
What are the key properties of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 166251761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).