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'}

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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).