N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide

C18H16FN3O — CID 97426241

IUPACN-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide
SMILESO=C(N[C@H]1CCCc2c1[nH]c1ccc(F)cc21)c1ccncc1
InChIInChI=1S/C18H16FN3O/c19-12-4-5-15-14(10-12)13-2-1-3-16(17(13)21-15)22-18(23)11-6-8-20-9-7-11/h4-10,16,21H,1-3H2,(H,22,23)/t16-/m0/s1
InChIKeyJOHOANJALAIGRY-INIZCTEOSA-N
MW309.34 g/mol
LogP3.51
Rot. Bonds2

About N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide

N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide (PubChem CID 97426241) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide
PubChem CID97426241
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC NameN-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide
SMILESO=C(N[C@H]1CCCc2c1[nH]c1ccc(F)cc21)c1ccncc1
InChIInChI=1S/C18H16FN3O/c19-12-4-5-15-14(10-12)13-2-1-3-16(17(13)21-15)22-18(23)11-6-8-20-9-7-11/h4-10,16,21H,1-3H2,(H,22,23)/t16-/m0/s1
InChIKeyJOHOANJALAIGRY-INIZCTEOSA-N
XLogP3.51
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide
CID 97425894
N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide
CID 71828780
N-[(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]benzamide
CID 11474133
N-[(1R)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3,4-dimethyl-2-(tetrazol-1-yl)benzamide
CID 97497044
N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3,4-dimethyl-2-(tetrazol-1-yl)benzamide
CID 97497045
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 97425995
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide
CID 97425971
N-benzyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 44583602
3-pyridin-3-yl-N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-pyrazole-5-carboxamide
CID 97496745
N-[(1R)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 97497096
5-[(3aS,4R,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pentanamide
CID 124873465
ethyl 6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 11855333

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide (CID 97426241) is N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide is O=C(N[C@H]1CCCc2c1[nH]c1ccc(F)cc21)c1ccncc1.
What is the InChIKey of N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide?
The InChIKey is JOHOANJALAIGRY-INIZCTEOSA-N. The full InChI is InChI=1S/C18H16FN3O/c19-12-4-5-15-14(10-12)13-2-1-3-16(17(13)21-15)22-18(23)11-6-8-20-9-7-11/h4-10,16,21H,1-3H2,(H,22,23)/t16-/m0/s1.
What are the key properties of N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide?
N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide has a molecular weight of 309.34 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 97426241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).