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

C22H25ClN4 — CID 1220477

IUPAC6-benzyl-4-chloro-1-(cyclohexylamino)-7,8-dihydro-5H-2,6-naphthyridine-3-carbonitrile
SMILESN#Cc1nc(NC2CCCCC2)c2c(c1Cl)CN(Cc1ccccc1)CC2
InChIInChI=1S/C22H25ClN4/c23-21-19-15-27(14-16-7-3-1-4-8-16)12-11-18(19)22(26-20(21)13-24)25-17-9-5-2-6-10-17/h1,3-4,7-8,17H,2,5-6,9-12,14-15H2,(H,25,26)
InChIKeyXNZVPQOIJWKPFD-UHFFFAOYSA-N
MW380.92 g/mol
LogP4.91
Rot. Bonds4

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

6-benzyl-4-chloro-1-(cyclohexylamino)-7,8-dihydro-5H-2,6-naphthyridine-3-carbonitrile (PubChem CID 1220477) has the molecular formula C22H25ClN4 and a molecular weight of 380.92 g/mol. Its IUPAC name is 6-benzyl-4-chloro-1-(cyclohexylamino)-7,8-dihydro-5H-2,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-benzyl-4-chloro-1-(cyclohexylamino)-7,8-dihydro-5H-2,6-naphthyridine-3-carbonitrile
PubChem CID1220477
Molecular FormulaC22H25ClN4
Molecular Weight380.92 g/mol
Exact Mass380.18
IUPAC Name6-benzyl-4-chloro-1-(cyclohexylamino)-7,8-dihydro-5H-2,6-naphthyridine-3-carbonitrile
SMILESN#Cc1nc(NC2CCCCC2)c2c(c1Cl)CN(Cc1ccccc1)CC2
InChIInChI=1S/C22H25ClN4/c23-21-19-15-27(14-16-7-3-1-4-8-16)12-11-18(19)22(26-20(21)13-24)25-17-9-5-2-6-10-17/h1,3-4,7-8,17H,2,5-6,9-12,14-15H2,(H,25,26)
InChIKeyXNZVPQOIJWKPFD-UHFFFAOYSA-N
XLogP4.91
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4-chloro-1-(cyclohexylamino)-7,8-dihydro-5H-2,6-naphthyridine-3-carbonitrile?
The IUPAC name of 6-benzyl-4-chloro-1-(cyclohexylamino)-7,8-dihydro-5H-2,6-naphthyridine-3-carbonitrile (CID 1220477) is 6-benzyl-4-chloro-1-(cyclohexylamino)-7,8-dihydro-5H-2,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-benzyl-4-chloro-1-(cyclohexylamino)-7,8-dihydro-5H-2,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-benzyl-4-chloro-1-(cyclohexylamino)-7,8-dihydro-5H-2,6-naphthyridine-3-carbonitrile is N#Cc1nc(NC2CCCCC2)c2c(c1Cl)CN(Cc1ccccc1)CC2.
What is the InChIKey of 6-benzyl-4-chloro-1-(cyclohexylamino)-7,8-dihydro-5H-2,6-naphthyridine-3-carbonitrile?
The InChIKey is XNZVPQOIJWKPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4/c23-21-19-15-27(14-16-7-3-1-4-8-16)12-11-18(19)22(26-20(21)13-24)25-17-9-5-2-6-10-17/h1,3-4,7-8,17H,2,5-6,9-12,14-15H2,(H,25,26).
What are the key properties of 6-benzyl-4-chloro-1-(cyclohexylamino)-7,8-dihydro-5H-2,6-naphthyridine-3-carbonitrile?
6-benzyl-4-chloro-1-(cyclohexylamino)-7,8-dihydro-5H-2,6-naphthyridine-3-carbonitrile has a molecular weight of 380.92 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-chloro-1-(cyclohexylamino)-7,8-dihydro-5H-2,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 1220477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).