1-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-methylindole-4-carboxamide

C22H19FN4O — CID 118141155

IUPAC1-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-methylindole-4-carboxamide
SMILESCc1cc2c(C(N)=O)cccc2n1-c1cccc(NCc2cccc(F)c2)n1
InChIInChI=1S/C22H19FN4O/c1-14-11-18-17(22(24)28)7-3-8-19(18)27(14)21-10-4-9-20(26-21)25-13-15-5-2-6-16(23)12-15/h2-12H,13H2,1H3,(H2,24,28)(H,25,26)
InChIKeyQYWUVRRCAMQBLP-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.18
Rot. Bonds5

About 1-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-methylindole-4-carboxamide

1-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-methylindole-4-carboxamide (PubChem CID 118141155) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is 1-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-methylindole-4-carboxamide.

Molecular Properties

Compound Name1-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-methylindole-4-carboxamide
PubChem CID118141155
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name1-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-methylindole-4-carboxamide
SMILESCc1cc2c(C(N)=O)cccc2n1-c1cccc(NCc2cccc(F)c2)n1
InChIInChI=1S/C22H19FN4O/c1-14-11-18-17(22(24)28)7-3-8-19(18)27(14)21-10-4-9-20(26-21)25-13-15-5-2-6-16(23)12-15/h2-12H,13H2,1H3,(H2,24,28)(H,25,26)
InChIKeyQYWUVRRCAMQBLP-UHFFFAOYSA-N
XLogP4.18
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(3-fluorophenyl)methylamino]-5-(1-hydroxyethyl)pyrimidin-2-yl]-2-methylindole-4-carboxamide
CID 118141083
1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydrooxepino[2,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide
CID 122685291
[3-[[[4-(4-carbamoyl-2-methylindol-1-yl)-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenyl]boronic acid
CID 140755856
[3-[[[2-(4-carbamoyl-2-methylindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]methyl]phenyl]boronic acid
CID 145205620
1-[4-(benzylamino)-5-(methoxymethyl)pyrimidin-2-yl]-2-methylindole-4-carboxamide
CID 118141287
[3-[[[3-(4-carbamoyl-6-fluoro-2-methylindol-1-yl)-6-ethyl-1,2,4-triazin-5-yl]amino]methyl]phenyl]boronic acid
CID 140755846
1-[4-(benzylamino)-5-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide
CID 122685590
1-[4-(benzylamino)-5-methyl-5,6,7,8-tetrahydroquinazolin-2-yl]-2-methylindole-4-carboxamide
CID 118240009
1-[4-(benzylamino)-5-(2-methoxyethoxy)pyrimidin-2-yl]-2-methylindole-4-carboxamide
CID 118141204
2-N-ethyl-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine
CID 80771478
1-[4-(benzylamino)-5-chloropyrimidin-2-yl]-6-fluoro-2-methylindole-4-carboxamide
CID 118141236
tert-butyl N-[[6-(benzylamino)-2-(4-carbamoyl-2-methylindol-1-yl)-5-methylpyrimidin-4-yl]methyl]-N-methylcarbamate
CID 118152034

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-methylindole-4-carboxamide?
The IUPAC name of 1-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-methylindole-4-carboxamide (CID 118141155) is 1-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-methylindole-4-carboxamide.
What is the SMILES notation for 1-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-methylindole-4-carboxamide?
The canonical SMILES for 1-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-methylindole-4-carboxamide is Cc1cc2c(C(N)=O)cccc2n1-c1cccc(NCc2cccc(F)c2)n1.
What is the InChIKey of 1-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-methylindole-4-carboxamide?
The InChIKey is QYWUVRRCAMQBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c1-14-11-18-17(22(24)28)7-3-8-19(18)27(14)21-10-4-9-20(26-21)25-13-15-5-2-6-16(23)12-15/h2-12H,13H2,1H3,(H2,24,28)(H,25,26).
What are the key properties of 1-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-methylindole-4-carboxamide?
1-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-methylindole-4-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-methylindole-4-carboxamide is sourced from PubChem (CID 118141155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).