4-amino-8-[5-(azetidine-1-carbonyl)-3-pyridinyl]-N-propylcinnoline-3-carboxamide

C21H22N6O2 — CID 23629997

IUPAC4-amino-8-[5-(azetidine-1-carbonyl)-3-pyridinyl]-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3cncc(C(=O)N4CCC4)c3)cccc2c1N
InChIInChI=1S/C21H22N6O2/c1-2-7-24-20(28)19-17(22)16-6-3-5-15(18(16)25-26-19)13-10-14(12-23-11-13)21(29)27-8-4-9-27/h3,5-6,10-12H,2,4,7-9H2,1H3,(H2,22,25)(H,24,28)
InChIKeyZRHJFOQMTHUEKL-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.26
Rot. Bonds5

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

4-amino-8-[5-(azetidine-1-carbonyl)-3-pyridinyl]-N-propylcinnoline-3-carboxamide (PubChem CID 23629997) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 4-amino-8-[5-(azetidine-1-carbonyl)-3-pyridinyl]-N-propylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-[5-(azetidine-1-carbonyl)-3-pyridinyl]-N-propylcinnoline-3-carboxamide
PubChem CID23629997
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name4-amino-8-[5-(azetidine-1-carbonyl)-3-pyridinyl]-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3cncc(C(=O)N4CCC4)c3)cccc2c1N
InChIInChI=1S/C21H22N6O2/c1-2-7-24-20(28)19-17(22)16-6-3-5-15(18(16)25-26-19)13-10-14(12-23-11-13)21(29)27-8-4-9-27/h3,5-6,10-12H,2,4,7-9H2,1H3,(H2,22,25)(H,24,28)
InChIKeyZRHJFOQMTHUEKL-UHFFFAOYSA-N
XLogP2.26
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-8-[5-(azetidine-1-carbonyl)-3-pyridinyl]-N-propylcinnoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dihydropyrrolopyrazole, 9
CID 10203646
4-Acridinecarboxamide, 9-amino-N-[2-(dimethylamino)ethyl]-5-methyl-
CID 150223
N-[3-(dimethylamino)propyl]-3-[3-[5-oxo-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
CID 53492947
N-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660644
4-Amino-8-phenyl-N-propyl-3-cinnolinecarboxamide
CID 14012376
5-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]pyridine-3-carboxamide
CID 137646593
4-Amino-N-propyl-8-(pyrimidin-2-yl)cinnoline-3-carboxamide
CID 50915192
N-(2-(Dimethylamino)ethyl)-2-(4-pyridinyl)-8-quinolinecarboxamide
CID 358077
N-(cyclobutylmethyl)-3-[[4-(pyrazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 11495877
N-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]quinoline-4-carboxamide
CID 11610189
N-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]isoquinoline-5-carboxamide
CID 11617449
4-Amino-8-(m-tolyl)-N-propyl-cinnoline-3-carboxamide
CID 25133443

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-[5-(azetidine-1-carbonyl)-3-pyridinyl]-N-propylcinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-[5-(azetidine-1-carbonyl)-3-pyridinyl]-N-propylcinnoline-3-carboxamide (CID 23629997) is 4-amino-8-[5-(azetidine-1-carbonyl)-3-pyridinyl]-N-propylcinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-[5-(azetidine-1-carbonyl)-3-pyridinyl]-N-propylcinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-[5-(azetidine-1-carbonyl)-3-pyridinyl]-N-propylcinnoline-3-carboxamide is CCCNC(=O)c1nnc2c(-c3cncc(C(=O)N4CCC4)c3)cccc2c1N.
What is the InChIKey of 4-amino-8-[5-(azetidine-1-carbonyl)-3-pyridinyl]-N-propylcinnoline-3-carboxamide?
The InChIKey is ZRHJFOQMTHUEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-2-7-24-20(28)19-17(22)16-6-3-5-15(18(16)25-26-19)13-10-14(12-23-11-13)21(29)27-8-4-9-27/h3,5-6,10-12H,2,4,7-9H2,1H3,(H2,22,25)(H,24,28).
What are the key properties of 4-amino-8-[5-(azetidine-1-carbonyl)-3-pyridinyl]-N-propylcinnoline-3-carboxamide?
4-amino-8-[5-(azetidine-1-carbonyl)-3-pyridinyl]-N-propylcinnoline-3-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-[5-(azetidine-1-carbonyl)-3-pyridinyl]-N-propylcinnoline-3-carboxamide is sourced from PubChem (CID 23629997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).