4-amino-8-[3-[5-(azetidine-1-carbonyl)-3-pyridinyl]propyl]cinnoline-3-carboxamide

C21H22N6O2 — CID 90732431

IUPAC4-amino-8-[3-[5-(azetidine-1-carbonyl)-3-pyridinyl]propyl]cinnoline-3-carboxamide
SMILESNC(=O)c1nnc2c(CCCc3cncc(C(=O)N4CCC4)c3)cccc2c1N
InChIInChI=1S/C21H22N6O2/c22-17-16-7-2-6-14(18(16)25-26-19(17)20(23)28)5-1-4-13-10-15(12-24-11-13)21(29)27-8-3-9-27/h2,6-7,10-12H,1,3-5,8-9H2,(H2,22,25)(H2,23,28)
InChIKeyCIKWFDSZPNGDNC-UHFFFAOYSA-N
MW390.45 g/mol
LogP1.73
Rot. Bonds6

About 4-amino-8-[3-[5-(azetidine-1-carbonyl)-3-pyridinyl]propyl]cinnoline-3-carboxamide

4-amino-8-[3-[5-(azetidine-1-carbonyl)-3-pyridinyl]propyl]cinnoline-3-carboxamide (PubChem CID 90732431) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 4-amino-8-[3-[5-(azetidine-1-carbonyl)-3-pyridinyl]propyl]cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-[3-[5-(azetidine-1-carbonyl)-3-pyridinyl]propyl]cinnoline-3-carboxamide
PubChem CID90732431
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name4-amino-8-[3-[5-(azetidine-1-carbonyl)-3-pyridinyl]propyl]cinnoline-3-carboxamide
SMILESNC(=O)c1nnc2c(CCCc3cncc(C(=O)N4CCC4)c3)cccc2c1N
InChIInChI=1S/C21H22N6O2/c22-17-16-7-2-6-14(18(16)25-26-19(17)20(23)28)5-1-4-13-10-15(12-24-11-13)21(29)27-8-3-9-27/h2,6-7,10-12H,1,3-5,8-9H2,(H2,22,25)(H2,23,28)
InChIKeyCIKWFDSZPNGDNC-UHFFFAOYSA-N
XLogP1.73
TPSA128.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-8-[3-[3-(azetidine-1-carbonyl)phenyl]propyl]cinnoline-3-carboxamide
CID 90873638
(4-amino-8-propylcinnolin-3-yl)-piperidin-1-ylmethanone;hydrate;hydrochloride
CID 23162925
(4-amino-8-propylcinnolin-3-yl)-morpholin-4-ylmethanone
CID 14012355
4-amino-8-[3-(azetidine-1-carbonyl)phenyl]-N-propylcinnoline-3-carboxamide
CID 23630103
4-(aminodiazenyl)-8-[5-(azetidine-1-carbonyl)-3-pyridinyl]-N-butylcinnoline-3-carboxamide
CID 71190609
azepan-1-yl-[5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]methanone
CID 58210813
4-amino-8-[2-(2,4-dimethoxypyrimidin-5-yl)ethyl]cinnoline-3-carboxamide
CID 91227637
4-amino-8-(1-methylpyrazol-4-yl)cinnoline-3-carboxamide
CID 122180346
N-(2,6-diethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102577
3-(azepane-1-carbonyl)benzamide;hexanediamide
CID 66769264
5-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109106016
N-(2-ethylphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102918

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-[3-[5-(azetidine-1-carbonyl)-3-pyridinyl]propyl]cinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-[3-[5-(azetidine-1-carbonyl)-3-pyridinyl]propyl]cinnoline-3-carboxamide (CID 90732431) is 4-amino-8-[3-[5-(azetidine-1-carbonyl)-3-pyridinyl]propyl]cinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-[3-[5-(azetidine-1-carbonyl)-3-pyridinyl]propyl]cinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-[3-[5-(azetidine-1-carbonyl)-3-pyridinyl]propyl]cinnoline-3-carboxamide is NC(=O)c1nnc2c(CCCc3cncc(C(=O)N4CCC4)c3)cccc2c1N.
What is the InChIKey of 4-amino-8-[3-[5-(azetidine-1-carbonyl)-3-pyridinyl]propyl]cinnoline-3-carboxamide?
The InChIKey is CIKWFDSZPNGDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c22-17-16-7-2-6-14(18(16)25-26-19(17)20(23)28)5-1-4-13-10-15(12-24-11-13)21(29)27-8-3-9-27/h2,6-7,10-12H,1,3-5,8-9H2,(H2,22,25)(H2,23,28).
What are the key properties of 4-amino-8-[3-[5-(azetidine-1-carbonyl)-3-pyridinyl]propyl]cinnoline-3-carboxamide?
4-amino-8-[3-[5-(azetidine-1-carbonyl)-3-pyridinyl]propyl]cinnoline-3-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-[3-[5-(azetidine-1-carbonyl)-3-pyridinyl]propyl]cinnoline-3-carboxamide is sourced from PubChem (CID 90732431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).