3-amino-N-[2-(1H-indol-3-yl)ethyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

C21H22N4OS — CID 23772106

IUPAC3-amino-N-[2-(1H-indol-3-yl)ethyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCC(C)c1ccc2c(N)c(C(=O)NCCc3c[nH]c4ccccc34)sc2n1
InChIInChI=1S/C21H22N4OS/c1-12(2)16-8-7-15-18(22)19(27-21(15)25-16)20(26)23-10-9-13-11-24-17-6-4-3-5-14(13)17/h3-8,11-12,24H,9-10,22H2,1-2H3,(H,23,26)
InChIKeyABMXZALVJVJNAS-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.46
Rot. Bonds5

About 3-amino-N-[2-(1H-indol-3-yl)ethyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-(1H-indol-3-yl)ethyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23772106) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is 3-amino-N-[2-(1H-indol-3-yl)ethyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(1H-indol-3-yl)ethyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID23772106
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name3-amino-N-[2-(1H-indol-3-yl)ethyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCC(C)c1ccc2c(N)c(C(=O)NCCc3c[nH]c4ccccc34)sc2n1
InChIInChI=1S/C21H22N4OS/c1-12(2)16-8-7-15-18(22)19(27-21(15)25-16)20(26)23-10-9-13-11-24-17-6-4-3-5-14(13)17/h3-8,11-12,24H,9-10,22H2,1-2H3,(H,23,26)
InChIKeyABMXZALVJVJNAS-UHFFFAOYSA-N
XLogP4.46
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23970143
3-amino-N-[(4-methylphenyl)methyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23970146
N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 27645794
N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853427
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide
CID 9453799
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(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
3,6-diamino-5-cyano-N-[2-(1H-indol-3-yl)ethyl]thieno[2,3-b]pyridin-7-ium-2-carboxamide
CID 7353136
4-amino-N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 61117378
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrazine-2-carboxamide
CID 146080613
3-amino-N-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62794556

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(1H-indol-3-yl)ethyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(1H-indol-3-yl)ethyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide (CID 23772106) is 3-amino-N-[2-(1H-indol-3-yl)ethyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(1H-indol-3-yl)ethyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(1H-indol-3-yl)ethyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide is CC(C)c1ccc2c(N)c(C(=O)NCCc3c[nH]c4ccccc34)sc2n1.
What is the InChIKey of 3-amino-N-[2-(1H-indol-3-yl)ethyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ABMXZALVJVJNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c1-12(2)16-8-7-15-18(22)19(27-21(15)25-16)20(26)23-10-9-13-11-24-17-6-4-3-5-14(13)17/h3-8,11-12,24H,9-10,22H2,1-2H3,(H,23,26).
What are the key properties of 3-amino-N-[2-(1H-indol-3-yl)ethyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[2-(1H-indol-3-yl)ethyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 4.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(1H-indol-3-yl)ethyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23772106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).