4-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide

C22H19FN4O — CID 109215313

IUPAC4-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cc(Nc2ccccc2F)ccn1
InChIInChI=1S/C22H19FN4O/c23-18-6-2-4-8-20(18)27-16-10-12-24-21(13-16)22(28)25-11-9-15-14-26-19-7-3-1-5-17(15)19/h1-8,10,12-14,26H,9,11H2,(H,24,27)(H,25,28)
InChIKeySTICYVSRCQGPBE-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.42
Rot. Bonds6

About 4-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide

4-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide (PubChem CID 109215313) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is 4-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
PubChem CID109215313
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name4-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cc(Nc2ccccc2F)ccn1
InChIInChI=1S/C22H19FN4O/c23-18-6-2-4-8-20(18)27-16-10-12-24-21(13-16)22(28)25-11-9-15-14-26-19-7-3-1-5-17(15)19/h1-8,10,12-14,26H,9,11H2,(H,24,27)(H,25,28)
InChIKeySTICYVSRCQGPBE-UHFFFAOYSA-N
XLogP4.42
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(tert-butylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109215296
N-[2-(1H-indol-3-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-2-carboxamide
CID 109215332
N-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyanilino)pyridine-2-carboxamide
CID 109215319
2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 162373909
4-[[(2R)-2-hydroxypropyl]amino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 95556692
2-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 109309683
N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203848
4-(2-fluoroanilino)-N-pentylpyridine-2-carboxamide
CID 109217523
N-cyclopentyl-4-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109204033
4-(2-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214542
2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002455
methyl 4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]pyridine-2-carboxylate
CID 59555814

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 4-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide (CID 109215313) is 4-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1cc(Nc2ccccc2F)ccn1.
What is the InChIKey of 4-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is STICYVSRCQGPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c23-18-6-2-4-8-20(18)27-16-10-12-24-21(13-16)22(28)25-11-9-15-14-26-19-7-3-1-5-17(15)19/h1-8,10,12-14,26H,9,11H2,(H,24,27)(H,25,28).
What are the key properties of 4-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide?
4-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 4.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109215313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).