[6-(4-ethyl-3-pyridinyl)-3-(pyrrolidine-1-carbonylamino)cinnolin-8-yl]carbamic acid

C21H22N6O3 — CID 146469847

IUPAC[6-(4-ethyl-3-pyridinyl)-3-(pyrrolidine-1-carbonylamino)cinnolin-8-yl]carbamic acid
SMILESCCc1ccncc1-c1cc(NC(=O)O)c2nnc(NC(=O)N3CCCC3)cc2c1
InChIInChI=1S/C21H22N6O3/c1-2-13-5-6-22-12-16(13)14-9-15-11-18(24-20(28)27-7-3-4-8-27)25-26-19(15)17(10-14)23-21(29)30/h5-6,9-12,23H,2-4,7-8H2,1H3,(H,29,30)(H,24,25,28)
InChIKeySUJDIMOOJMSWDH-UHFFFAOYSA-N
MW406.45 g/mol
LogP3.97
Rot. Bonds4

About [6-(4-ethyl-3-pyridinyl)-3-(pyrrolidine-1-carbonylamino)cinnolin-8-yl]carbamic acid

[6-(4-ethyl-3-pyridinyl)-3-(pyrrolidine-1-carbonylamino)cinnolin-8-yl]carbamic acid (PubChem CID 146469847) has the molecular formula C21H22N6O3 and a molecular weight of 406.45 g/mol. Its IUPAC name is [6-(4-ethyl-3-pyridinyl)-3-(pyrrolidine-1-carbonylamino)cinnolin-8-yl]carbamic acid.

Molecular Properties

Compound Name[6-(4-ethyl-3-pyridinyl)-3-(pyrrolidine-1-carbonylamino)cinnolin-8-yl]carbamic acid
PubChem CID146469847
Molecular FormulaC21H22N6O3
Molecular Weight406.45 g/mol
Exact Mass406.18
IUPAC Name[6-(4-ethyl-3-pyridinyl)-3-(pyrrolidine-1-carbonylamino)cinnolin-8-yl]carbamic acid
SMILESCCc1ccncc1-c1cc(NC(=O)O)c2nnc(NC(=O)N3CCCC3)cc2c1
InChIInChI=1S/C21H22N6O3/c1-2-13-5-6-22-12-16(13)14-9-15-11-18(24-20(28)27-7-3-4-8-27)25-26-19(15)17(10-14)23-21(29)30/h5-6,9-12,23H,2-4,7-8H2,1H3,(H,29,30)(H,24,25,28)
InChIKeySUJDIMOOJMSWDH-UHFFFAOYSA-N
XLogP3.97
TPSA120.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(4-ethyl-3-pyridinyl)-3-(pyrrolidine-1-carbonylamino)cinnolin-8-yl]carbamic acid?
The IUPAC name of [6-(4-ethyl-3-pyridinyl)-3-(pyrrolidine-1-carbonylamino)cinnolin-8-yl]carbamic acid (CID 146469847) is [6-(4-ethyl-3-pyridinyl)-3-(pyrrolidine-1-carbonylamino)cinnolin-8-yl]carbamic acid.
What is the SMILES notation for [6-(4-ethyl-3-pyridinyl)-3-(pyrrolidine-1-carbonylamino)cinnolin-8-yl]carbamic acid?
The canonical SMILES for [6-(4-ethyl-3-pyridinyl)-3-(pyrrolidine-1-carbonylamino)cinnolin-8-yl]carbamic acid is CCc1ccncc1-c1cc(NC(=O)O)c2nnc(NC(=O)N3CCCC3)cc2c1.
What is the InChIKey of [6-(4-ethyl-3-pyridinyl)-3-(pyrrolidine-1-carbonylamino)cinnolin-8-yl]carbamic acid?
The InChIKey is SUJDIMOOJMSWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3/c1-2-13-5-6-22-12-16(13)14-9-15-11-18(24-20(28)27-7-3-4-8-27)25-26-19(15)17(10-14)23-21(29)30/h5-6,9-12,23H,2-4,7-8H2,1H3,(H,29,30)(H,24,25,28).
What are the key properties of [6-(4-ethyl-3-pyridinyl)-3-(pyrrolidine-1-carbonylamino)cinnolin-8-yl]carbamic acid?
[6-(4-ethyl-3-pyridinyl)-3-(pyrrolidine-1-carbonylamino)cinnolin-8-yl]carbamic acid has a molecular weight of 406.45 g/mol, XLogP of 3.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-ethyl-3-pyridinyl)-3-(pyrrolidine-1-carbonylamino)cinnolin-8-yl]carbamic acid is sourced from PubChem (CID 146469847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).