7H-cyclopenta[b]pyridine-3-carboxylic acid;N-[2-(7H-cyclopenta[b]pyridin-3-yl)-2-oxoethyl]acetamide

C21H19N3O4 — CID 157377640

IUPAC7H-cyclopenta[b]pyridine-3-carboxylic acid;N-[2-(7H-cyclopenta[b]pyridin-3-yl)-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)c1cnc2c(c1)C=CC2.O=C(O)c1cnc2c(c1)C=CC2
InChIInChI=1S/C12H12N2O2.C9H7NO2/c1-8(15)13-7-12(16)10-5-9-3-2-4-11(9)14-6-10;11-9(12)7-4-6-2-1-3-8(6)10-5-7/h2-3,5-6H,4,7H2,1H3,(H,13,15);1-2,4-5H,3H2,(H,11,12)
InChIKeyBKMRNHPZTZGQKV-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.32
Rot. Bonds4

About 7H-cyclopenta[b]pyridine-3-carboxylic acid;N-[2-(7H-cyclopenta[b]pyridin-3-yl)-2-oxoethyl]acetamide

7H-cyclopenta[b]pyridine-3-carboxylic acid;N-[2-(7H-cyclopenta[b]pyridin-3-yl)-2-oxoethyl]acetamide (PubChem CID 157377640) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 7H-cyclopenta[b]pyridine-3-carboxylic acid;N-[2-(7H-cyclopenta[b]pyridin-3-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name7H-cyclopenta[b]pyridine-3-carboxylic acid;N-[2-(7H-cyclopenta[b]pyridin-3-yl)-2-oxoethyl]acetamide
PubChem CID157377640
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name7H-cyclopenta[b]pyridine-3-carboxylic acid;N-[2-(7H-cyclopenta[b]pyridin-3-yl)-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)c1cnc2c(c1)C=CC2.O=C(O)c1cnc2c(c1)C=CC2
InChIInChI=1S/C12H12N2O2.C9H7NO2/c1-8(15)13-7-12(16)10-5-9-3-2-4-11(9)14-6-10;11-9(12)7-4-6-2-1-3-8(6)10-5-7/h2-3,5-6H,4,7H2,1H3,(H,13,15);1-2,4-5H,3H2,(H,11,12)
InChIKeyBKMRNHPZTZGQKV-UHFFFAOYSA-N
XLogP2.32
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7H-cyclopenta[b]pyridine-3-carboxylic acid;N-[2-(7H-cyclopenta[b]pyridin-3-yl)-2-oxoethyl]acetamide with MolForge

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Related Compounds

3H-indeno[4,5-h]quinoline-7-carboxylic acid
CID 141208489
2-[[(2-acetamidoacetyl)amino]methyl]pyridine-4-carboxylic acid
CID 113277490
N-(2-imidazo[1,2-a]pyridin-7-yl-2-oxoethyl)acetamide
CID 59320836
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]acetamide
CID 82116531
5-bromo-6-ethoxypyridine-3-carboxylic acid
CID 66835474
6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride
CID 66815672
3-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-4-methylbenzoic acid
CID 119219462
6-ethyl-6-(methylcarbamoyl)-5,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid
CID 160735641
6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine-3-carboxylic acid
CID 105445983
benzene-1,3,5-tricarboxylic acid;vanadium
CID 166458102
3-(2-methyl-4-pyridinyl)-7H-cyclopenta[b]pyridine
CID 158490130
pyridine-3,5-dicarboxylic acid;hydrochloride
CID 66910809

Frequently Asked Questions

What is the IUPAC name of 7H-cyclopenta[b]pyridine-3-carboxylic acid;N-[2-(7H-cyclopenta[b]pyridin-3-yl)-2-oxoethyl]acetamide?
The IUPAC name of 7H-cyclopenta[b]pyridine-3-carboxylic acid;N-[2-(7H-cyclopenta[b]pyridin-3-yl)-2-oxoethyl]acetamide (CID 157377640) is 7H-cyclopenta[b]pyridine-3-carboxylic acid;N-[2-(7H-cyclopenta[b]pyridin-3-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for 7H-cyclopenta[b]pyridine-3-carboxylic acid;N-[2-(7H-cyclopenta[b]pyridin-3-yl)-2-oxoethyl]acetamide?
The canonical SMILES for 7H-cyclopenta[b]pyridine-3-carboxylic acid;N-[2-(7H-cyclopenta[b]pyridin-3-yl)-2-oxoethyl]acetamide is CC(=O)NCC(=O)c1cnc2c(c1)C=CC2.O=C(O)c1cnc2c(c1)C=CC2.
What is the InChIKey of 7H-cyclopenta[b]pyridine-3-carboxylic acid;N-[2-(7H-cyclopenta[b]pyridin-3-yl)-2-oxoethyl]acetamide?
The InChIKey is BKMRNHPZTZGQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2.C9H7NO2/c1-8(15)13-7-12(16)10-5-9-3-2-4-11(9)14-6-10;11-9(12)7-4-6-2-1-3-8(6)10-5-7/h2-3,5-6H,4,7H2,1H3,(H,13,15);1-2,4-5H,3H2,(H,11,12).
What are the key properties of 7H-cyclopenta[b]pyridine-3-carboxylic acid;N-[2-(7H-cyclopenta[b]pyridin-3-yl)-2-oxoethyl]acetamide?
7H-cyclopenta[b]pyridine-3-carboxylic acid;N-[2-(7H-cyclopenta[b]pyridin-3-yl)-2-oxoethyl]acetamide has a molecular weight of 377.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-cyclopenta[b]pyridine-3-carboxylic acid;N-[2-(7H-cyclopenta[b]pyridin-3-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 157377640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).