3-chloro-1-(diethylamino)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

C14H19ClN4 — CID 619394

IUPAC3-chloro-1-(diethylamino)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCCN(CC)c1nc(Cl)c(C#N)c2c1CN(C)CC2
InChIInChI=1S/C14H19ClN4/c1-4-19(5-2)14-12-9-18(3)7-6-10(12)11(8-16)13(15)17-14/h4-7,9H2,1-3H3
InChIKeyQMKGWRMYAJKMBT-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.44
Rot. Bonds3

About 3-chloro-1-(diethylamino)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

3-chloro-1-(diethylamino)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 619394) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 3-chloro-1-(diethylamino)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-1-(diethylamino)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
PubChem CID619394
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name3-chloro-1-(diethylamino)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCCN(CC)c1nc(Cl)c(C#N)c2c1CN(C)CC2
InChIInChI=1S/C14H19ClN4/c1-4-19(5-2)14-12-9-18(3)7-6-10(12)11(8-16)13(15)17-14/h4-7,9H2,1-3H3
InChIKeyQMKGWRMYAJKMBT-UHFFFAOYSA-N
XLogP2.44
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-chloro-1-(diethylamino)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile 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

3-chloro-6-cyclohexyl-1-(diethylamino)-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile
CID 171987341
3-chloro-1-(2-hydroxyethylamino)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 613602
1-(benzylamino)-3-chloro-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 823255
3-chloro-1-ethyl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine-4-carbonitrile
CID 97181778
7-acetyl-3-chloro-1-methyl-5,6,8,9-tetrahydropyrido[3,4-d]azepine-4-carbonitrile
CID 82624606
4-chloro-2-(diethylamino)-6-(propan-2-ylamino)pyrimidine-5-carbonitrile
CID 134097252
4-[(2-chloro-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-propylamino]-3-methylbutanenitrile
CID 142595126
3-(diethylamino)-1-methylpyrazole-4-carbonitrile
CID 104593349
2-chloro-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
CID 82611382
3-[2-(dimethylamino)ethylamino]-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 4893894
3-(2-hydroxyethylamino)-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 4885917
7-benzyl-3-(diethylamino)-1-(2-methoxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 4886736

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(diethylamino)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 3-chloro-1-(diethylamino)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (CID 619394) is 3-chloro-1-(diethylamino)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-1-(diethylamino)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-1-(diethylamino)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is CCN(CC)c1nc(Cl)c(C#N)c2c1CN(C)CC2.
What is the InChIKey of 3-chloro-1-(diethylamino)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The InChIKey is QMKGWRMYAJKMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-4-19(5-2)14-12-9-18(3)7-6-10(12)11(8-16)13(15)17-14/h4-7,9H2,1-3H3.
What are the key properties of 3-chloro-1-(diethylamino)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
3-chloro-1-(diethylamino)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 278.79 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(diethylamino)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 619394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).