4-[4-[2-(cyclopentanecarbonylamino)ethyl]piperidin-1-yl]-2-methylthieno[3,2-d]pyrimidine-6-carboxamide

C21H29N5O2S — CID 90398915

IUPAC4-[4-[2-(cyclopentanecarbonylamino)ethyl]piperidin-1-yl]-2-methylthieno[3,2-d]pyrimidine-6-carboxamide
SMILESCc1nc(N2CCC(CCNC(=O)C3CCCC3)CC2)c2sc(C(N)=O)cc2n1
InChIInChI=1S/C21H29N5O2S/c1-13-24-16-12-17(19(22)27)29-18(16)20(25-13)26-10-7-14(8-11-26)6-9-23-21(28)15-4-2-3-5-15/h12,14-15H,2-11H2,1H3,(H2,22,27)(H,23,28)
InChIKeyOFQWCGJUXMHGBE-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.01
Rot. Bonds6

About 4-[4-[2-(cyclopentanecarbonylamino)ethyl]piperidin-1-yl]-2-methylthieno[3,2-d]pyrimidine-6-carboxamide

4-[4-[2-(cyclopentanecarbonylamino)ethyl]piperidin-1-yl]-2-methylthieno[3,2-d]pyrimidine-6-carboxamide (PubChem CID 90398915) has the molecular formula C21H29N5O2S and a molecular weight of 415.56 g/mol. Its IUPAC name is 4-[4-[2-(cyclopentanecarbonylamino)ethyl]piperidin-1-yl]-2-methylthieno[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-[4-[2-(cyclopentanecarbonylamino)ethyl]piperidin-1-yl]-2-methylthieno[3,2-d]pyrimidine-6-carboxamide
PubChem CID90398915
Molecular FormulaC21H29N5O2S
Molecular Weight415.56 g/mol
Exact Mass415.20
IUPAC Name4-[4-[2-(cyclopentanecarbonylamino)ethyl]piperidin-1-yl]-2-methylthieno[3,2-d]pyrimidine-6-carboxamide
SMILESCc1nc(N2CCC(CCNC(=O)C3CCCC3)CC2)c2sc(C(N)=O)cc2n1
InChIInChI=1S/C21H29N5O2S/c1-13-24-16-12-17(19(22)27)29-18(16)20(25-13)26-10-7-14(8-11-26)6-9-23-21(28)15-4-2-3-5-15/h12,14-15H,2-11H2,1H3,(H2,22,27)(H,23,28)
InChIKeyOFQWCGJUXMHGBE-UHFFFAOYSA-N
XLogP3.01
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[4-[2-(cyclopentanecarbonylamino)ethyl]piperidin-1-yl]-2-methylthieno[3,2-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

tert-butyl N-[2-[1-(6-carbamoyl-2-ethylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]carbamate
CID 144698914
4-[4-[(2,2-dimethylpropanoylamino)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
CID 71654843
4-(4-ethylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide
CID 118630788
4-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxylic acid
CID 71654991
4-(4-cyclohexylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide
CID 157398260
N-(2-cyclopentylethyl)cyclopentanecarboxamide
CID 110874283
7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide
CID 90398978
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclohexanecarboxamide
CID 50947846
N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]cyclohexanecarboxamide
CID 46378930
N-[2-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]ethyl]acetamide
CID 56710970
N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 110414375
N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]cyclobutanecarboxamide
CID 90492360

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(cyclopentanecarbonylamino)ethyl]piperidin-1-yl]-2-methylthieno[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-[4-[2-(cyclopentanecarbonylamino)ethyl]piperidin-1-yl]-2-methylthieno[3,2-d]pyrimidine-6-carboxamide (CID 90398915) is 4-[4-[2-(cyclopentanecarbonylamino)ethyl]piperidin-1-yl]-2-methylthieno[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-[4-[2-(cyclopentanecarbonylamino)ethyl]piperidin-1-yl]-2-methylthieno[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-[4-[2-(cyclopentanecarbonylamino)ethyl]piperidin-1-yl]-2-methylthieno[3,2-d]pyrimidine-6-carboxamide is Cc1nc(N2CCC(CCNC(=O)C3CCCC3)CC2)c2sc(C(N)=O)cc2n1.
What is the InChIKey of 4-[4-[2-(cyclopentanecarbonylamino)ethyl]piperidin-1-yl]-2-methylthieno[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is OFQWCGJUXMHGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2S/c1-13-24-16-12-17(19(22)27)29-18(16)20(25-13)26-10-7-14(8-11-26)6-9-23-21(28)15-4-2-3-5-15/h12,14-15H,2-11H2,1H3,(H2,22,27)(H,23,28).
What are the key properties of 4-[4-[2-(cyclopentanecarbonylamino)ethyl]piperidin-1-yl]-2-methylthieno[3,2-d]pyrimidine-6-carboxamide?
4-[4-[2-(cyclopentanecarbonylamino)ethyl]piperidin-1-yl]-2-methylthieno[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 415.56 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(cyclopentanecarbonylamino)ethyl]piperidin-1-yl]-2-methylthieno[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 90398915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).