N-[6-(dimethylamino)-4-methyl-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide

C24H22F2N4O — CID 68929763

IUPACN-[6-(dimethylamino)-4-methyl-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
SMILESCc1cc(N(C)C)ncc1NC(=O)c1cc2cc(F)ccc2n1Cc1cccc(F)c1
InChIInChI=1S/C24H22F2N4O/c1-15-9-23(29(2)3)27-13-20(15)28-24(31)22-12-17-11-19(26)7-8-21(17)30(22)14-16-5-4-6-18(25)10-16/h4-13H,14H2,1-3H3,(H,28,31)
InChIKeyMLXKOLWHRIRRDY-UHFFFAOYSA-N
MW420.46 g/mol
LogP4.99
Rot. Bonds5

About N-[6-(dimethylamino)-4-methyl-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide

N-[6-(dimethylamino)-4-methyl-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide (PubChem CID 68929763) has the molecular formula C24H22F2N4O and a molecular weight of 420.46 g/mol. Its IUPAC name is N-[6-(dimethylamino)-4-methyl-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)-4-methyl-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
PubChem CID68929763
Molecular FormulaC24H22F2N4O
Molecular Weight420.46 g/mol
Exact Mass420.18
IUPAC NameN-[6-(dimethylamino)-4-methyl-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
SMILESCc1cc(N(C)C)ncc1NC(=O)c1cc2cc(F)ccc2n1Cc1cccc(F)c1
InChIInChI=1S/C24H22F2N4O/c1-15-9-23(29(2)3)27-13-20(15)28-24(31)22-12-17-11-19(26)7-8-21(17)30(22)14-16-5-4-6-18(25)10-16/h4-13H,14H2,1-3H3,(H,28,31)
InChIKeyMLXKOLWHRIRRDY-UHFFFAOYSA-N
XLogP4.99
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-[4-methyl-6-(methylamino)-3-pyridinyl]-1-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 68929707
5-fluoro-1-[(3-fluorophenyl)methyl]-N-(4-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide
CID 57431495
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]indole-2-carboxylic acid
CID 57431513
5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]indole-2-carboxamide
CID 57431524
5-fluoro-1-[(3-methylphenyl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)indole-2-carboxamide
CID 66846526
5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]indole-2-carboxamide
CID 57431515
N-[6-[(3R)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
CID 57431491
5-fluoro-1-[(3-fluorophenyl)methyl]-N-(2,7,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),3,5,7-tetraen-3-yl)indole-2-carboxamide
CID 25182888
5-fluoro-1-[(3-fluorophenyl)methyl]-N-(7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,3,5-trien-5-yl)indole-2-carboxamide
CID 25183053
1-[(3-fluorophenyl)methyl]-5-methyl-N-(1-methylindol-5-yl)indole-2-carboxamide
CID 69130872
N-(5-amino-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-10-yl)-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
CID 66905436

Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)-4-methyl-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide?
The IUPAC name of N-[6-(dimethylamino)-4-methyl-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide (CID 68929763) is N-[6-(dimethylamino)-4-methyl-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide.
What is the SMILES notation for N-[6-(dimethylamino)-4-methyl-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide?
The canonical SMILES for N-[6-(dimethylamino)-4-methyl-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide is Cc1cc(N(C)C)ncc1NC(=O)c1cc2cc(F)ccc2n1Cc1cccc(F)c1.
What is the InChIKey of N-[6-(dimethylamino)-4-methyl-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide?
The InChIKey is MLXKOLWHRIRRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O/c1-15-9-23(29(2)3)27-13-20(15)28-24(31)22-12-17-11-19(26)7-8-21(17)30(22)14-16-5-4-6-18(25)10-16/h4-13H,14H2,1-3H3,(H,28,31).
What are the key properties of N-[6-(dimethylamino)-4-methyl-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide?
N-[6-(dimethylamino)-4-methyl-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide has a molecular weight of 420.46 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)-4-methyl-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide is sourced from PubChem (CID 68929763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).