2-(2-amino-2-oxoethyl)sulfanyl-N-(9-ethylcarbazol-3-yl)pyridine-3-carboxamide

C22H20N4O2S — CID 9400408

IUPAC2-(2-amino-2-oxoethyl)sulfanyl-N-(9-ethylcarbazol-3-yl)pyridine-3-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)c3cccnc3SCC(N)=O)ccc21
InChIInChI=1S/C22H20N4O2S/c1-2-26-18-8-4-3-6-15(18)17-12-14(9-10-19(17)26)25-21(28)16-7-5-11-24-22(16)29-13-20(23)27/h3-12H,2,13H2,1H3,(H2,23,27)(H,25,28)
InChIKeyFCXDESXWKPHZHH-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.04
Rot. Bonds6

About 2-(2-amino-2-oxoethyl)sulfanyl-N-(9-ethylcarbazol-3-yl)pyridine-3-carboxamide

2-(2-amino-2-oxoethyl)sulfanyl-N-(9-ethylcarbazol-3-yl)pyridine-3-carboxamide (PubChem CID 9400408) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethyl)sulfanyl-N-(9-ethylcarbazol-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethyl)sulfanyl-N-(9-ethylcarbazol-3-yl)pyridine-3-carboxamide
PubChem CID9400408
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC Name2-(2-amino-2-oxoethyl)sulfanyl-N-(9-ethylcarbazol-3-yl)pyridine-3-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)c3cccnc3SCC(N)=O)ccc21
InChIInChI=1S/C22H20N4O2S/c1-2-26-18-8-4-3-6-15(18)17-12-14(9-10-19(17)26)25-21(28)16-7-5-11-24-22(16)29-13-20(23)27/h3-12H,2,13H2,1H3,(H2,23,27)(H,25,28)
InChIKeyFCXDESXWKPHZHH-UHFFFAOYSA-N
XLogP4.04
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(9-ethylcarbazol-3-yl)-2-fluorobenzamide
CID 3128405
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CID 55667339
N-(9-ethylcarbazol-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2330776
3-N-(9-ethylcarbazol-3-yl)-2-N-(2-methoxyethyl)pyrazine-2,3-dicarboxamide
CID 138604593
trans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 2321929
N-(9-ethylcarbazol-3-yl)-1-methylpyrrole-2-carboxamide
CID 10267869
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
2-ethyl-N-(9-ethylcarbazol-3-yl)-5-methylpyrazole-3-carboxamide
CID 60619206
2-[carbamoyl(methyl)amino]-N-(9-ethylcarbazol-3-yl)acetamide
CID 9400428
N-(9-ethylcarbazol-3-yl)-2-methyl-3-pyridin-4-ylpropanamide
CID 70240283
N-(9-ethylcarbazol-3-yl)-4-propoxybenzamide
CID 17163838
N-[2-(diethylamino)ethyl]-2-[(9-ethylcarbazol-3-yl)amino]pyridine-3-carboxamide
CID 138585804

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-(9-ethylcarbazol-3-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-(9-ethylcarbazol-3-yl)pyridine-3-carboxamide (CID 9400408) is 2-(2-amino-2-oxoethyl)sulfanyl-N-(9-ethylcarbazol-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-amino-2-oxoethyl)sulfanyl-N-(9-ethylcarbazol-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2-amino-2-oxoethyl)sulfanyl-N-(9-ethylcarbazol-3-yl)pyridine-3-carboxamide is CCn1c2ccccc2c2cc(NC(=O)c3cccnc3SCC(N)=O)ccc21.
What is the InChIKey of 2-(2-amino-2-oxoethyl)sulfanyl-N-(9-ethylcarbazol-3-yl)pyridine-3-carboxamide?
The InChIKey is FCXDESXWKPHZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-2-26-18-8-4-3-6-15(18)17-12-14(9-10-19(17)26)25-21(28)16-7-5-11-24-22(16)29-13-20(23)27/h3-12H,2,13H2,1H3,(H2,23,27)(H,25,28).
What are the key properties of 2-(2-amino-2-oxoethyl)sulfanyl-N-(9-ethylcarbazol-3-yl)pyridine-3-carboxamide?
2-(2-amino-2-oxoethyl)sulfanyl-N-(9-ethylcarbazol-3-yl)pyridine-3-carboxamide has a molecular weight of 404.50 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethyl)sulfanyl-N-(9-ethylcarbazol-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 9400408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).