5-fluoro-N-[4-methyl-6-(methylamino)-3-pyridinyl]-1-(pyridin-4-ylmethyl)indole-2-carboxamide

C22H20FN5O — CID 68929707

IUPAC5-fluoro-N-[4-methyl-6-(methylamino)-3-pyridinyl]-1-(pyridin-4-ylmethyl)indole-2-carboxamide
SMILESCNc1cc(C)c(NC(=O)c2cc3cc(F)ccc3n2Cc2ccncc2)cn1
InChIInChI=1S/C22H20FN5O/c1-14-9-21(24-2)26-12-18(14)27-22(29)20-11-16-10-17(23)3-4-19(16)28(20)13-15-5-7-25-8-6-15/h3-12H,13H2,1-2H3,(H,24,26)(H,27,29)
InChIKeyZPNUAJVAWJIGCJ-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.22
Rot. Bonds5

About 5-fluoro-N-[4-methyl-6-(methylamino)-3-pyridinyl]-1-(pyridin-4-ylmethyl)indole-2-carboxamide

5-fluoro-N-[4-methyl-6-(methylamino)-3-pyridinyl]-1-(pyridin-4-ylmethyl)indole-2-carboxamide (PubChem CID 68929707) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is 5-fluoro-N-[4-methyl-6-(methylamino)-3-pyridinyl]-1-(pyridin-4-ylmethyl)indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[4-methyl-6-(methylamino)-3-pyridinyl]-1-(pyridin-4-ylmethyl)indole-2-carboxamide
PubChem CID68929707
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC Name5-fluoro-N-[4-methyl-6-(methylamino)-3-pyridinyl]-1-(pyridin-4-ylmethyl)indole-2-carboxamide
SMILESCNc1cc(C)c(NC(=O)c2cc3cc(F)ccc3n2Cc2ccncc2)cn1
InChIInChI=1S/C22H20FN5O/c1-14-9-21(24-2)26-12-18(14)27-22(29)20-11-16-10-17(23)3-4-19(16)28(20)13-15-5-7-25-8-6-15/h3-12H,13H2,1-2H3,(H,24,26)(H,27,29)
InChIKeyZPNUAJVAWJIGCJ-UHFFFAOYSA-N
XLogP4.22
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(dimethylamino)-4-methyl-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
CID 68929763
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-fluoro-1-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 68694369
5-fluoro-1-(pyridin-4-ylmethyl)-N-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)indole-2-carboxamide
CID 66811698
5-fluoro-1-[(3-fluorophenyl)methyl]-N-(4-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide
CID 57431495
5-fluoro-1-[(3-methylphenyl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)indole-2-carboxamide
CID 66846526
N-(4-fluoro-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107374291
5-fluoro-1-[(3-fluorophenyl)methyl]-N-(7-hydroxypyrrolo[2,3-b]pyridin-5-yl)indole-2-carboxamide
CID 66846286
5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]indole-2-carboxamide
CID 57431524
5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]indole-2-carboxamide
CID 57431515
1-[(3-fluorophenyl)methyl]-N-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-c]pyridine-2-carboxamide
CID 66845803
1-[(3-fluorophenyl)methyl]-5-methyl-N-(1-methylindol-5-yl)indole-2-carboxamide
CID 69130872
ethyl 5-fluoro-1-[(3-methyl-2-pyridinyl)methyl]indole-2-carboxylate
CID 15979106

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[4-methyl-6-(methylamino)-3-pyridinyl]-1-(pyridin-4-ylmethyl)indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-[4-methyl-6-(methylamino)-3-pyridinyl]-1-(pyridin-4-ylmethyl)indole-2-carboxamide (CID 68929707) is 5-fluoro-N-[4-methyl-6-(methylamino)-3-pyridinyl]-1-(pyridin-4-ylmethyl)indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[4-methyl-6-(methylamino)-3-pyridinyl]-1-(pyridin-4-ylmethyl)indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[4-methyl-6-(methylamino)-3-pyridinyl]-1-(pyridin-4-ylmethyl)indole-2-carboxamide is CNc1cc(C)c(NC(=O)c2cc3cc(F)ccc3n2Cc2ccncc2)cn1.
What is the InChIKey of 5-fluoro-N-[4-methyl-6-(methylamino)-3-pyridinyl]-1-(pyridin-4-ylmethyl)indole-2-carboxamide?
The InChIKey is ZPNUAJVAWJIGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-14-9-21(24-2)26-12-18(14)27-22(29)20-11-16-10-17(23)3-4-19(16)28(20)13-15-5-7-25-8-6-15/h3-12H,13H2,1-2H3,(H,24,26)(H,27,29).
What are the key properties of 5-fluoro-N-[4-methyl-6-(methylamino)-3-pyridinyl]-1-(pyridin-4-ylmethyl)indole-2-carboxamide?
5-fluoro-N-[4-methyl-6-(methylamino)-3-pyridinyl]-1-(pyridin-4-ylmethyl)indole-2-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[4-methyl-6-(methylamino)-3-pyridinyl]-1-(pyridin-4-ylmethyl)indole-2-carboxamide is sourced from PubChem (CID 68929707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).