N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide;fluoroethane

C17H16ClF2N3O — CID 144880564

IUPACN-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide;fluoroethane
SMILESCCF.O=C(NCc1cc2c(Cl)c[nH]c2cc1F)c1cccnc1
InChIInChI=1S/C15H11ClFN3O.C2H5F/c16-12-8-19-14-5-13(17)10(4-11(12)14)7-20-15(21)9-2-1-3-18-6-9;1-2-3/h1-6,8,19H,7H2,(H,20,21);2H2,1H3
InChIKeyFPJWALLQUTUHQF-UHFFFAOYSA-N
MW351.78 g/mol
LogP4.26
Rot. Bonds3

About N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide;fluoroethane

N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide;fluoroethane (PubChem CID 144880564) has the molecular formula C17H16ClF2N3O and a molecular weight of 351.78 g/mol. Its IUPAC name is N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide;fluoroethane.

Molecular Properties

Compound NameN-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide;fluoroethane
PubChem CID144880564
Molecular FormulaC17H16ClF2N3O
Molecular Weight351.78 g/mol
Exact Mass351.09
IUPAC NameN-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide;fluoroethane
SMILESCCF.O=C(NCc1cc2c(Cl)c[nH]c2cc1F)c1cccnc1
InChIInChI=1S/C15H11ClFN3O.C2H5F/c16-12-8-19-14-5-13(17)10(4-11(12)14)7-20-15(21)9-2-1-3-18-6-9;1-2-3/h1-6,8,19H,7H2,(H,20,21);2H2,1H3
InChIKeyFPJWALLQUTUHQF-UHFFFAOYSA-N
XLogP4.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.78
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide;fluoroethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[4-(acetamidomethyl)-2,3-difluorophenyl]methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide
CID 118212905
5-[[4-(acetamidomethyl)-2-fluorophenyl]methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide
CID 118213110
N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]pyridine-3-carboxamide
CID 22260966
N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[[6-(methylaminomethyl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 144881115
N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(6-chloroisoquinolin-3-yl)methyl]pyridine-4-carboxamide
CID 146325929
1-[[4-(acetamidomethyl)-2,5-difluorophenyl]methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-6-oxopyridine-3-carboxamide
CID 118220543
5-[[4-(1-acetylpyrrolidin-2-yl)-3-fluorophenyl]methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide
CID 118212299
N-[(4,6-dichloro-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 178023307
2-[[4-[[(2-aminoacetyl)amino]methyl]-3-methoxyphenyl]methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride
CID 118213068
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 110731484
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]pyridine-3-carboxamide
CID 110782938
N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 134178028

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide;fluoroethane?
The IUPAC name of N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide;fluoroethane (CID 144880564) is N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide;fluoroethane.
What is the SMILES notation for N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide;fluoroethane?
The canonical SMILES for N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide;fluoroethane is CCF.O=C(NCc1cc2c(Cl)c[nH]c2cc1F)c1cccnc1.
What is the InChIKey of N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide;fluoroethane?
The InChIKey is FPJWALLQUTUHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O.C2H5F/c16-12-8-19-14-5-13(17)10(4-11(12)14)7-20-15(21)9-2-1-3-18-6-9;1-2-3/h1-6,8,19H,7H2,(H,20,21);2H2,1H3.
What are the key properties of N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide;fluoroethane?
N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide;fluoroethane has a molecular weight of 351.78 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide;fluoroethane is sourced from PubChem (CID 144880564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).