N-[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-fluoro-1H-indole-2-carboxamide

C20H21FN4O2 — CID 51965149

IUPACN-[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-fluoro-1H-indole-2-carboxamide
SMILESC[C@H]1CN(c2ccc(NC(=O)c3cc4cc(F)ccc4[nH]3)cn2)C[C@H](C)O1
InChIInChI=1S/C20H21FN4O2/c1-12-10-25(11-13(2)27-12)19-6-4-16(9-22-19)23-20(26)18-8-14-7-15(21)3-5-17(14)24-18/h3-9,12-13,24H,10-11H2,1-2H3,(H,23,26)/t12-,13-/m0/s1
InChIKeyXBDOALDFTBSDHC-STQMWFEESA-N
MW368.41 g/mol
LogP3.57
Rot. Bonds3

About N-[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-fluoro-1H-indole-2-carboxamide

N-[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-fluoro-1H-indole-2-carboxamide (PubChem CID 51965149) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-fluoro-1H-indole-2-carboxamide
PubChem CID51965149
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC NameN-[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-fluoro-1H-indole-2-carboxamide
SMILESC[C@H]1CN(c2ccc(NC(=O)c3cc4cc(F)ccc4[nH]3)cn2)C[C@H](C)O1
InChIInChI=1S/C20H21FN4O2/c1-12-10-25(11-13(2)27-12)19-6-4-16(9-22-19)23-20(26)18-8-14-7-15(21)3-5-17(14)24-18/h3-9,12-13,24H,10-11H2,1-2H3,(H,23,26)/t12-,13-/m0/s1
InChIKeyXBDOALDFTBSDHC-STQMWFEESA-N
XLogP3.57
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-fluoro-1H-indole-2-carboxamide with MolForge

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Related Compounds

(2,6-dimethylmorpholin-4-yl)-(5-fluoro-1H-indol-2-yl)methanone
CID 4905053
N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]pyrazine-2-carboxamide
CID 95149576
5-cyclopropyl-N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
CID 94775965
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-(methylsulfamoyl)benzamide
CID 166181004
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56567683
1-cyclopropyl-N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2,5-dimethylpyrrole-3-carboxamide
CID 94819448
N-(4-carbamoylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 46557885
6-chloro-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylquinoline-3-carboxamide
CID 55786434
5-fluoro-N-[4-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide
CID 21014433
4-amino-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]quinazoline-7-carboxamide
CID 166243952
N-cyclooctyl-N'-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]oxamide
CID 71889123
5-fluoro-N-quinolin-6-yl-1H-indole-2-carboxamide
CID 4905152

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-fluoro-1H-indole-2-carboxamide (CID 51965149) is N-[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-fluoro-1H-indole-2-carboxamide is C[C@H]1CN(c2ccc(NC(=O)c3cc4cc(F)ccc4[nH]3)cn2)C[C@H](C)O1.
What is the InChIKey of N-[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-fluoro-1H-indole-2-carboxamide?
The InChIKey is XBDOALDFTBSDHC-STQMWFEESA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-12-10-25(11-13(2)27-12)19-6-4-16(9-22-19)23-20(26)18-8-14-7-15(21)3-5-17(14)24-18/h3-9,12-13,24H,10-11H2,1-2H3,(H,23,26)/t12-,13-/m0/s1.
What are the key properties of N-[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-fluoro-1H-indole-2-carboxamide?
N-[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-fluoro-1H-indole-2-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 51965149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).