3-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine;5-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine

C38H36Cl4N8 — CID 145487748

IUPAC3-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine;5-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine
SMILESClc1c(-c2cc3cnccc3c(Cl)n2)ccnc1NC1CCCCC1.Clc1cnc(NC2CCCCC2)cc1-c1cc2cnccc2c(Cl)n1
InChIInChI=1S/2C19H18Cl2N4/c20-17-15(7-9-23-19(17)24-13-4-2-1-3-5-13)16-10-12-11-22-8-6-14(12)18(21)25-16;20-16-11-23-18(24-13-4-2-1-3-5-13)9-15(16)17-8-12-10-22-7-6-14(12)19(21)25-17/h2*6-11,13H,1-5H2,(H,23,24)
InChIKeyUWSIHJNMSQPDRU-UHFFFAOYSA-N
MW746.57 g/mol
LogP11.49
Rot. Bonds6

About 3-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine;5-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine

3-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine;5-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine (PubChem CID 145487748) has the molecular formula C38H36Cl4N8 and a molecular weight of 746.57 g/mol. Its IUPAC name is 3-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine;5-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine;5-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine
PubChem CID145487748
Molecular FormulaC38H36Cl4N8
Molecular Weight746.57 g/mol
Exact Mass744.18
IUPAC Name3-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine;5-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine
SMILESClc1c(-c2cc3cnccc3c(Cl)n2)ccnc1NC1CCCCC1.Clc1cnc(NC2CCCCC2)cc1-c1cc2cnccc2c(Cl)n1
InChIInChI=1S/2C19H18Cl2N4/c20-17-15(7-9-23-19(17)24-13-4-2-1-3-5-13)16-10-12-11-22-8-6-14(12)18(21)25-16;20-16-11-23-18(24-13-4-2-1-3-5-13)9-15(16)17-8-12-10-22-7-6-14(12)19(21)25-17/h2*6-11,13H,1-5H2,(H,23,24)
InChIKeyUWSIHJNMSQPDRU-UHFFFAOYSA-N
XLogP11.49
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.57
LogP ≤ 511.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine;5-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]-piperidine-4-carboxylic Acid Piperidin-4-ylamide
CID 46900230
Cdk9-IN-2
CID 49855228
3-(2,6-dichlorophenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]-1,6-naphthyridine-2,7-diamine
CID 5330142
3-(2,6-dichlorophenyl)-7-N-[4-(diethylamino)butyl]-1,6-naphthyridine-2,7-diamine
CID 5330145
N-(8-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}octyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644780
4-(2-chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-N-piperidin-4-yl-1,7-naphthyridin-7-ium-2-amine
CID 56834762
N1-(7-(3-chlorophenyl)-1,6-naphthyridin-5-yl)propane-1,3-diamine
CID 10125658
5-chloro-N4-((S)-1-(8-chloro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)pyrimidine-2,4-diamine
CID 24944522
Cyclohexyl-{4-[1-(4-methylpiperazin-1-yl)[2,6]naphthyridin-3-yl]pyridin-2-yl}amine
CID 25020308
Cyclohexyl-{4-[1-(4-isobutylpiperazin-1-yl)[2,6]naphthyridin-3-yl]pyridin-2-yl}amine
CID 46899899
Cyclohexyl-{4-[1-((cis-3,5-dimethylpiperazin-1-yl)[2,6]naphthyridin-3-yl]pyridin-2-yl}amine
CID 46899903

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine;5-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine?
The IUPAC name of 3-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine;5-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine (CID 145487748) is 3-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine;5-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine.
What is the SMILES notation for 3-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine;5-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine?
The canonical SMILES for 3-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine;5-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine is Clc1c(-c2cc3cnccc3c(Cl)n2)ccnc1NC1CCCCC1.Clc1cnc(NC2CCCCC2)cc1-c1cc2cnccc2c(Cl)n1.
What is the InChIKey of 3-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine;5-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine?
The InChIKey is UWSIHJNMSQPDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H18Cl2N4/c20-17-15(7-9-23-19(17)24-13-4-2-1-3-5-13)16-10-12-11-22-8-6-14(12)18(21)25-16;20-16-11-23-18(24-13-4-2-1-3-5-13)9-15(16)17-8-12-10-22-7-6-14(12)19(21)25-17/h2*6-11,13H,1-5H2,(H,23,24).
What are the key properties of 3-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine;5-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine?
3-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine;5-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine has a molecular weight of 746.57 g/mol, XLogP of 11.49, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine;5-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine is sourced from PubChem (CID 145487748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).