N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)thiophene-2-carboxamide

C16H10ClN3OS — CID 21362693

IUPACN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)thiophene-2-carboxamide
SMILESO=C(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1cccs1
InChIInChI=1S/C16H10ClN3OS/c17-9-6-11-10-3-4-18-8-13(10)19-15(11)12(7-9)20-16(21)14-2-1-5-22-14/h1-8,19H,(H,20,21)
InChIKeyYPVYZASEUDPIQN-UHFFFAOYSA-N
MW327.80 g/mol
LogP4.68
Rot. Bonds2

About N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)thiophene-2-carboxamide

N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)thiophene-2-carboxamide (PubChem CID 21362693) has the molecular formula C16H10ClN3OS and a molecular weight of 327.80 g/mol. Its IUPAC name is N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)thiophene-2-carboxamide
PubChem CID21362693
Molecular FormulaC16H10ClN3OS
Molecular Weight327.80 g/mol
Exact Mass327.02
IUPAC NameN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)thiophene-2-carboxamide
SMILESO=C(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1cccs1
InChIInChI=1S/C16H10ClN3OS/c17-9-6-11-10-3-4-18-8-13(10)19-15(11)12(7-9)20-16(21)14-2-1-5-22-14/h1-8,19H,(H,20,21)
InChIKeyYPVYZASEUDPIQN-UHFFFAOYSA-N
XLogP4.68
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.80
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-fluorobenzamide
CID 21362680
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 158752682
N-(4-chloro-3-pyridinyl)thiophene-2-carboxamide
CID 78965933
(1R)-2-amino-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)cyclohexane-1-carboxamide
CID 11772262
(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine-3-carboxamide
CID 68920973
N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 795521
N-[2-chloro-5-(pyridin-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27700085
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[(6-methyl-2-pyridinyl)methyl]morpholine-3-carboxamide
CID 68915702
N-[5-chloro-2-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide
CID 164851927
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 51147954
N-[2-[(4-bromophenyl)carbamoyl]-5-chlorophenyl]thiophene-2-carboxamide
CID 142141961

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)thiophene-2-carboxamide?
The IUPAC name of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)thiophene-2-carboxamide (CID 21362693) is N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)thiophene-2-carboxamide is O=C(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1cccs1.
What is the InChIKey of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)thiophene-2-carboxamide?
The InChIKey is YPVYZASEUDPIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3OS/c17-9-6-11-10-3-4-18-8-13(10)19-15(11)12(7-9)20-16(21)14-2-1-5-22-14/h1-8,19H,(H,20,21).
What are the key properties of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)thiophene-2-carboxamide?
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)thiophene-2-carboxamide has a molecular weight of 327.80 g/mol, XLogP of 4.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)thiophene-2-carboxamide is sourced from PubChem (CID 21362693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).