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

C19H12ClF3N4O3 — CID 158752682

IUPACN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1ccncc1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H11ClN4O.C2HF3O2/c18-11-7-13-12-3-6-20-9-15(12)21-16(13)14(8-11)22-17(23)10-1-4-19-5-2-10;3-2(4,5)1(6)7/h1-9,21H,(H,22,23);(H,6,7)
InChIKeyHQNKJMFTMNLVMR-UHFFFAOYSA-N
MW436.78 g/mol
LogP4.65
Rot. Bonds2

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

N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 158752682) has the molecular formula C19H12ClF3N4O3 and a molecular weight of 436.78 g/mol. Its IUPAC name is N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID158752682
Molecular FormulaC19H12ClF3N4O3
Molecular Weight436.78 g/mol
Exact Mass436.06
IUPAC NameN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1ccncc1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H11ClN4O.C2HF3O2/c18-11-7-13-12-3-6-20-9-15(12)21-16(13)14(8-11)22-17(23)10-1-4-19-5-2-10;3-2(4,5)1(6)7/h1-9,21H,(H,22,23);(H,6,7)
InChIKeyHQNKJMFTMNLVMR-UHFFFAOYSA-N
XLogP4.65
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.78
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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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)thiophene-2-carboxamide
CID 21362693
(1R)-2-amino-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)cyclohexane-1-carboxamide
CID 11772262
(2E,3Z)-2-(aminomethylidene)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)hexa-3,5-dienamide
CID 89003482
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 21362716
6-chloro-9H-pyrido[3,4-b]indol-8-amine;dihydrochloride
CID 68524321
N-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 66879857
2-[(3R)-4-(2-aminoethyl)morpholin-3-yl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)acetamide
CID 143136998
3-[4-[(3-chlorophenyl)carbamoylamino]phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 67198510
4-chloro-3-(pyridine-4-carbonylamino)benzoic acid
CID 24688561
N-(2-bromo-5-chlorophenyl)pyridine-4-carboxamide
CID 81272185
(3S)-4-[(2S)-2-aminopropyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide
CID 67165200

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 158752682) is N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid is O=C(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1ccncc1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is HQNKJMFTMNLVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O.C2HF3O2/c18-11-7-13-12-3-6-20-9-15(12)21-16(13)14(8-11)22-17(23)10-1-4-19-5-2-10;3-2(4,5)1(6)7/h1-9,21H,(H,22,23);(H,6,7).
What are the key properties of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 436.78 g/mol, XLogP of 4.65, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 158752682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).