N-(5-chloro-2-pyridinyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

C19H20ClN5OS — CID 4247281

IUPACN-(5-chloro-2-pyridinyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Cl)cn2)sc2ncnc(N3CCCCC3C)c12
InChIInChI=1S/C19H20ClN5OS/c1-11-5-3-4-8-25(11)17-15-12(2)16(27-19(15)23-10-22-17)18(26)24-14-7-6-13(20)9-21-14/h6-7,9-11H,3-5,8H2,1-2H3,(H,21,24,26)
InChIKeyLYXCTCQXINMYHR-UHFFFAOYSA-N
MW401.92 g/mol
LogP4.68
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

N-(5-chloro-2-pyridinyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 4247281) has the molecular formula C19H20ClN5OS and a molecular weight of 401.92 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID4247281
Molecular FormulaC19H20ClN5OS
Molecular Weight401.92 g/mol
Exact Mass401.11
IUPAC NameN-(5-chloro-2-pyridinyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Cl)cn2)sc2ncnc(N3CCCCC3C)c12
InChIInChI=1S/C19H20ClN5OS/c1-11-5-3-4-8-25(11)17-15-12(2)16(27-19(15)23-10-22-17)18(26)24-14-7-6-13(20)9-21-14/h6-7,9-11H,3-5,8H2,1-2H3,(H,21,24,26)
InChIKeyLYXCTCQXINMYHR-UHFFFAOYSA-N
XLogP4.68
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-2-pyridinyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4116245
N-cyclohexyl-N,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4120035
(4-benzylpiperazin-1-yl)-[5-methyl-4-[(2R)-2-methylpiperidin-1-yl]thieno[2,3-d]pyrimidin-6-yl]methanone
CID 92848582
(4-benzylpiperidin-1-yl)-[5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone
CID 126477024
4-(azepan-1-yl)-N-[(4-chlorophenyl)methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 22585759
N-cyclohexyl-2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4284171
N-(4-chlorophenyl)-4-[cyclohexyl(methyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46363786
2,5-dimethyl-4-(2-methylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 4120238
N-(4-chlorophenyl)-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 50847461
N-(3-chloro-4-fluorophenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 4156050
N-(3-chloro-4-fluorophenyl)-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4151217
6-chloro-4-(2-methylpiperidin-1-yl)quinazoline
CID 172903082

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 4247281) is N-(5-chloro-2-pyridinyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)Nc2ccc(Cl)cn2)sc2ncnc(N3CCCCC3C)c12.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is LYXCTCQXINMYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5OS/c1-11-5-3-4-8-25(11)17-15-12(2)16(27-19(15)23-10-22-17)18(26)24-14-7-6-13(20)9-21-14/h6-7,9-11H,3-5,8H2,1-2H3,(H,21,24,26).
What are the key properties of N-(5-chloro-2-pyridinyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
N-(5-chloro-2-pyridinyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 401.92 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 4247281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).