N-[6-amino-5-(4-fluoro-1-methylindol-2-yl)-2-pyridinyl]-3-methylbenzamide

C22H19FN4O — CID 58486734

IUPACN-[6-amino-5-(4-fluoro-1-methylindol-2-yl)-2-pyridinyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(-c3cc4c(F)cccc4n3C)c(N)n2)c1
InChIInChI=1S/C22H19FN4O/c1-13-5-3-6-14(11-13)22(28)26-20-10-9-15(21(24)25-20)19-12-16-17(23)7-4-8-18(16)27(19)2/h3-12H,1-2H3,(H3,24,25,26,28)
InChIKeyNAOLTLYDUFGHNH-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.52
Rot. Bonds3

About N-[6-amino-5-(4-fluoro-1-methylindol-2-yl)-2-pyridinyl]-3-methylbenzamide

N-[6-amino-5-(4-fluoro-1-methylindol-2-yl)-2-pyridinyl]-3-methylbenzamide (PubChem CID 58486734) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[6-amino-5-(4-fluoro-1-methylindol-2-yl)-2-pyridinyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[6-amino-5-(4-fluoro-1-methylindol-2-yl)-2-pyridinyl]-3-methylbenzamide
PubChem CID58486734
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC NameN-[6-amino-5-(4-fluoro-1-methylindol-2-yl)-2-pyridinyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(-c3cc4c(F)cccc4n3C)c(N)n2)c1
InChIInChI=1S/C22H19FN4O/c1-13-5-3-6-14(11-13)22(28)26-20-10-9-15(21(24)25-20)19-12-16-17(23)7-4-8-18(16)27(19)2/h3-12H,1-2H3,(H3,24,25,26,28)
InChIKeyNAOLTLYDUFGHNH-UHFFFAOYSA-N
XLogP4.52
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 966005
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
CID 58486832
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(dihydroxyamino)benzamide
CID 153188718
2-fluoro-N-[2-[1-methyl-5-[(3-methylbenzoyl)amino]benzimidazol-2-yl]ethyl]benzamide
CID 50751442
N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
CID 46270391
N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide
CID 58487462
N-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide
CID 58487185
3-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazol-5-amine
CID 115107883
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
N-(3-amino-5-fluorophenyl)-3-methylbenzamide
CID 107334074
N-(5-chloropyrazin-2-yl)-3-methylbenzamide
CID 104964166
3-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide
CID 104820807

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-(4-fluoro-1-methylindol-2-yl)-2-pyridinyl]-3-methylbenzamide?
The IUPAC name of N-[6-amino-5-(4-fluoro-1-methylindol-2-yl)-2-pyridinyl]-3-methylbenzamide (CID 58486734) is N-[6-amino-5-(4-fluoro-1-methylindol-2-yl)-2-pyridinyl]-3-methylbenzamide.
What is the SMILES notation for N-[6-amino-5-(4-fluoro-1-methylindol-2-yl)-2-pyridinyl]-3-methylbenzamide?
The canonical SMILES for N-[6-amino-5-(4-fluoro-1-methylindol-2-yl)-2-pyridinyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(-c3cc4c(F)cccc4n3C)c(N)n2)c1.
What is the InChIKey of N-[6-amino-5-(4-fluoro-1-methylindol-2-yl)-2-pyridinyl]-3-methylbenzamide?
The InChIKey is NAOLTLYDUFGHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c1-13-5-3-6-14(11-13)22(28)26-20-10-9-15(21(24)25-20)19-12-16-17(23)7-4-8-18(16)27(19)2/h3-12H,1-2H3,(H3,24,25,26,28).
What are the key properties of N-[6-amino-5-(4-fluoro-1-methylindol-2-yl)-2-pyridinyl]-3-methylbenzamide?
N-[6-amino-5-(4-fluoro-1-methylindol-2-yl)-2-pyridinyl]-3-methylbenzamide has a molecular weight of 374.42 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-(4-fluoro-1-methylindol-2-yl)-2-pyridinyl]-3-methylbenzamide is sourced from PubChem (CID 58486734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).