N-(5-chloro-2-pyridinyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide

C18H18ClN5OS — CID 126794223

IUPACN-(5-chloro-2-pyridinyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCc1csc2c(N3CCC(C(=O)Nc4ccc(Cl)cn4)CC3)ncnc12
InChIInChI=1S/C18H18ClN5OS/c1-11-9-26-16-15(11)21-10-22-17(16)24-6-4-12(5-7-24)18(25)23-14-3-2-13(19)8-20-14/h2-3,8-10,12H,4-7H2,1H3,(H,20,23,25)
InChIKeyDWNWVLJIGGUSLM-UHFFFAOYSA-N
MW387.90 g/mol
LogP3.90
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide

N-(5-chloro-2-pyridinyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 126794223) has the molecular formula C18H18ClN5OS and a molecular weight of 387.90 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID126794223
Molecular FormulaC18H18ClN5OS
Molecular Weight387.90 g/mol
Exact Mass387.09
IUPAC NameN-(5-chloro-2-pyridinyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCc1csc2c(N3CCC(C(=O)Nc4ccc(Cl)cn4)CC3)ncnc12
InChIInChI=1S/C18H18ClN5OS/c1-11-9-26-16-15(11)21-10-22-17(16)24-6-4-12(5-7-24)18(25)23-14-3-2-13(19)8-20-14/h2-3,8-10,12H,4-7H2,1H3,(H,20,23,25)
InChIKeyDWNWVLJIGGUSLM-UHFFFAOYSA-N
XLogP3.90
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.90
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-2-pyridinyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-(5-bromo-3-methyl-2-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 133359803
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CID 47066466
N-(5-chloro-2-pyridinyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidine-4-carboxamide
CID 167785418
N,N-dimethyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 171691257
[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602843
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol
CID 102687010
N-(5-chloro-2-pyridinyl)-1-(5-methyl-1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 136525935
1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 133359811
N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]benzamide
CID 172898892
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 102685906
2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
CID 102685980
N-cyclopentyl-2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 126794223) is N-(5-chloro-2-pyridinyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide is Cc1csc2c(N3CCC(C(=O)Nc4ccc(Cl)cn4)CC3)ncnc12.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is DWNWVLJIGGUSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5OS/c1-11-9-26-16-15(11)21-10-22-17(16)24-6-4-12(5-7-24)18(25)23-14-3-2-13(19)8-20-14/h2-3,8-10,12H,4-7H2,1H3,(H,20,23,25).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide?
N-(5-chloro-2-pyridinyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 387.90 g/mol, XLogP of 3.90, 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)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 126794223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).