N-(5-chloro-2-pyridinyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidine-4-carboxamide

C20H20ClN5OS — CID 167785418

IUPACN-(5-chloro-2-pyridinyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidine-4-carboxamide
SMILESCSc1ccc2ncnc(N3CCC(C(=O)Nc4ccc(Cl)cn4)CC3)c2c1
InChIInChI=1S/C20H20ClN5OS/c1-28-15-3-4-17-16(10-15)19(24-12-23-17)26-8-6-13(7-9-26)20(27)25-18-5-2-14(21)11-22-18/h2-5,10-13H,6-9H2,1H3,(H,22,25,27)
InChIKeySDDTURJDJJYICW-UHFFFAOYSA-N
MW413.93 g/mol
LogP4.26
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidine-4-carboxamide

N-(5-chloro-2-pyridinyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidine-4-carboxamide (PubChem CID 167785418) has the molecular formula C20H20ClN5OS and a molecular weight of 413.93 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidine-4-carboxamide
PubChem CID167785418
Molecular FormulaC20H20ClN5OS
Molecular Weight413.93 g/mol
Exact Mass413.11
IUPAC NameN-(5-chloro-2-pyridinyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidine-4-carboxamide
SMILESCSc1ccc2ncnc(N3CCC(C(=O)Nc4ccc(Cl)cn4)CC3)c2c1
InChIInChI=1S/C20H20ClN5OS/c1-28-15-3-4-17-16(10-15)19(24-12-23-17)26-8-6-13(7-9-26)20(27)25-18-5-2-14(21)11-22-18/h2-5,10-13H,6-9H2,1H3,(H,22,25,27)
InChIKeySDDTURJDJJYICW-UHFFFAOYSA-N
XLogP4.26
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.93
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-bromoquinazolin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 87021145
1-(6-chloroquinazolin-4-yl)-N-cyclopropylpiperidine-4-carboxamide
CID 163352823
N-(5-chloro-2-pyridinyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 126794223
N-(5-chloro-2-pyridinyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide
CID 47066466
4-(4-chlorophenyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol
CID 167921455
1-(5-bromo-3-methyl-2-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 133359803
1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 133359811
methyl 3-(6-methylsulfanylquinazolin-4-yl)-3-azaspiro[5.5]undecane-9-carboxylate
CID 167882933
N-(5-chloro-2-pyridinyl)-1-(5-methyl-1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 136525935
1-(6-fluoroquinazolin-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 133305498
4-cyclohexyl-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol
CID 167836092
1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid
CID 71563722

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidine-4-carboxamide (CID 167785418) is N-(5-chloro-2-pyridinyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidine-4-carboxamide is CSc1ccc2ncnc(N3CCC(C(=O)Nc4ccc(Cl)cn4)CC3)c2c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidine-4-carboxamide?
The InChIKey is SDDTURJDJJYICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5OS/c1-28-15-3-4-17-16(10-15)19(24-12-23-17)26-8-6-13(7-9-26)20(27)25-18-5-2-14(21)11-22-18/h2-5,10-13H,6-9H2,1H3,(H,22,25,27).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidine-4-carboxamide?
N-(5-chloro-2-pyridinyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidine-4-carboxamide has a molecular weight of 413.93 g/mol, XLogP of 4.26, 4 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-(6-methylsulfanylquinazolin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 167785418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).