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

C19H27ClN4 — CID 171987341

IUPAC3-chloro-6-cyclohexyl-1-(diethylamino)-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile
SMILESCCN(CC)c1nc(Cl)c(C#N)c2c1CCN(C1CCCCC1)C2
InChIInChI=1S/C19H27ClN4/c1-3-23(4-2)19-15-10-11-24(14-8-6-5-7-9-14)13-17(15)16(12-21)18(20)22-19/h14H,3-11,13H2,1-2H3
InChIKeyMTPLWHFILMKJNQ-UHFFFAOYSA-N
MW346.91 g/mol
LogP4.14
Rot. Bonds4

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

3-chloro-6-cyclohexyl-1-(diethylamino)-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile (PubChem CID 171987341) has the molecular formula C19H27ClN4 and a molecular weight of 346.91 g/mol. Its IUPAC name is 3-chloro-6-cyclohexyl-1-(diethylamino)-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-cyclohexyl-1-(diethylamino)-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile
PubChem CID171987341
Molecular FormulaC19H27ClN4
Molecular Weight346.91 g/mol
Exact Mass346.19
IUPAC Name3-chloro-6-cyclohexyl-1-(diethylamino)-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile
SMILESCCN(CC)c1nc(Cl)c(C#N)c2c1CCN(C1CCCCC1)C2
InChIInChI=1S/C19H27ClN4/c1-3-23(4-2)19-15-10-11-24(14-8-6-5-7-9-14)13-17(15)16(12-21)18(20)22-19/h14H,3-11,13H2,1-2H3
InChIKeyMTPLWHFILMKJNQ-UHFFFAOYSA-N
XLogP4.14
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.91
LogP ≤ 54.14
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-6-cyclohexyl-1-(diethylamino)-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile?
The IUPAC name of 3-chloro-6-cyclohexyl-1-(diethylamino)-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile (CID 171987341) is 3-chloro-6-cyclohexyl-1-(diethylamino)-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-6-cyclohexyl-1-(diethylamino)-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-6-cyclohexyl-1-(diethylamino)-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile is CCN(CC)c1nc(Cl)c(C#N)c2c1CCN(C1CCCCC1)C2.
What is the InChIKey of 3-chloro-6-cyclohexyl-1-(diethylamino)-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile?
The InChIKey is MTPLWHFILMKJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4/c1-3-23(4-2)19-15-10-11-24(14-8-6-5-7-9-14)13-17(15)16(12-21)18(20)22-19/h14H,3-11,13H2,1-2H3.
What are the key properties of 3-chloro-6-cyclohexyl-1-(diethylamino)-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile?
3-chloro-6-cyclohexyl-1-(diethylamino)-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile has a molecular weight of 346.91 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-cyclohexyl-1-(diethylamino)-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile is sourced from PubChem (CID 171987341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).