3-chloro-7-cyclohexyl-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

C19H25ClN4O — CID 3249876

IUPAC3-chloro-7-cyclohexyl-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESN#Cc1c(Cl)nc(N2CCOCC2)c2c1CCN(C1CCCCC1)C2
InChIInChI=1S/C19H25ClN4O/c20-18-16(12-21)15-6-7-24(14-4-2-1-3-5-14)13-17(15)19(22-18)23-8-10-25-11-9-23/h14H,1-11,13H2
InChIKeyMRWDGQDWOVCQPV-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.13
Rot. Bonds2

About 3-chloro-7-cyclohexyl-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

3-chloro-7-cyclohexyl-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 3249876) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is 3-chloro-7-cyclohexyl-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-7-cyclohexyl-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
PubChem CID3249876
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name3-chloro-7-cyclohexyl-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESN#Cc1c(Cl)nc(N2CCOCC2)c2c1CCN(C1CCCCC1)C2
InChIInChI=1S/C19H25ClN4O/c20-18-16(12-21)15-6-7-24(14-4-2-1-3-5-14)13-17(15)19(22-18)23-8-10-25-11-9-23/h14H,1-11,13H2
InChIKeyMRWDGQDWOVCQPV-UHFFFAOYSA-N
XLogP3.13
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-chloro-7-cyclohexyl-1-morpholin-4-yl-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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-cyclohexyl-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 3-chloro-7-cyclohexyl-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (CID 3249876) is 3-chloro-7-cyclohexyl-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-7-cyclohexyl-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-7-cyclohexyl-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is N#Cc1c(Cl)nc(N2CCOCC2)c2c1CCN(C1CCCCC1)C2.
What is the InChIKey of 3-chloro-7-cyclohexyl-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The InChIKey is MRWDGQDWOVCQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c20-18-16(12-21)15-6-7-24(14-4-2-1-3-5-14)13-17(15)19(22-18)23-8-10-25-11-9-23/h14H,1-11,13H2.
What are the key properties of 3-chloro-7-cyclohexyl-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
3-chloro-7-cyclohexyl-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 360.89 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-cyclohexyl-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 3249876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).