5-[5-(ethylcarbamoyl)-2-pyridinyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid

C16H19N5O3 — CID 50957600

IUPAC5-[5-(ethylcarbamoyl)-2-pyridinyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
SMILESCCNC(=O)c1ccc(N2CCCn3nc(C(=O)O)cc3C2)nc1
InChIInChI=1S/C16H19N5O3/c1-2-17-15(22)11-4-5-14(18-9-11)20-6-3-7-21-12(10-20)8-13(19-21)16(23)24/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,17,22)(H,23,24)
InChIKeyQNHKWMJUTPATAC-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.14
Rot. Bonds4

About 5-[5-(ethylcarbamoyl)-2-pyridinyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid

5-[5-(ethylcarbamoyl)-2-pyridinyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid (PubChem CID 50957600) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 5-[5-(ethylcarbamoyl)-2-pyridinyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid.

Molecular Properties

Compound Name5-[5-(ethylcarbamoyl)-2-pyridinyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
PubChem CID50957600
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name5-[5-(ethylcarbamoyl)-2-pyridinyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
SMILESCCNC(=O)c1ccc(N2CCCn3nc(C(=O)O)cc3C2)nc1
InChIInChI=1S/C16H19N5O3/c1-2-17-15(22)11-4-5-14(18-9-11)20-6-3-7-21-12(10-20)8-13(19-21)16(23)24/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,17,22)(H,23,24)
InChIKeyQNHKWMJUTPATAC-UHFFFAOYSA-N
XLogP1.14
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[5-(ethylcarbamoyl)-2-pyridinyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid with MolForge

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Related Compounds

N-ethyl-6-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 133422541
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CID 119505612
N-[(2R)-2-(ethylamino)propyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 120652401
6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridine-3-carboxylic acid
CID 118794991
6-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-ethylpyridine-3-carboxamide
CID 134699696
6-[(3S)-3-benzyl-5-oxopiperazin-1-yl]-N-ethylpyridine-3-carboxamide
CID 137340358
6-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-piperidin-3-ylpyridine-3-carboxamide
CID 167793719
N-ethyl-6-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133314214
N-(2-hydroxy-2-propylpentyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111444833
N-ethyl-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95105098
6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-ethylpyridine-3-carboxamide
CID 135101927
N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181

Frequently Asked Questions

What is the IUPAC name of 5-[5-(ethylcarbamoyl)-2-pyridinyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid?
The IUPAC name of 5-[5-(ethylcarbamoyl)-2-pyridinyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid (CID 50957600) is 5-[5-(ethylcarbamoyl)-2-pyridinyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid.
What is the SMILES notation for 5-[5-(ethylcarbamoyl)-2-pyridinyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid?
The canonical SMILES for 5-[5-(ethylcarbamoyl)-2-pyridinyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid is CCNC(=O)c1ccc(N2CCCn3nc(C(=O)O)cc3C2)nc1.
What is the InChIKey of 5-[5-(ethylcarbamoyl)-2-pyridinyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid?
The InChIKey is QNHKWMJUTPATAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-2-17-15(22)11-4-5-14(18-9-11)20-6-3-7-21-12(10-20)8-13(19-21)16(23)24/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,17,22)(H,23,24).
What are the key properties of 5-[5-(ethylcarbamoyl)-2-pyridinyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid?
5-[5-(ethylcarbamoyl)-2-pyridinyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(ethylcarbamoyl)-2-pyridinyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid is sourced from PubChem (CID 50957600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).