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

C19H18Cl2N4 — CID 87241812

IUPAC3-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine
SMILESClc1c(-c2cc3cnccc3c(Cl)n2)ccnc1NC1CCCCC1
InChIInChI=1S/C19H18Cl2N4/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/h6-11,13H,1-5H2,(H,23,24)
InChIKeyVTTQFCZDQNIXSK-UHFFFAOYSA-N
MW373.29 g/mol
LogP5.74
Rot. Bonds3

About 3-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 (PubChem CID 87241812) has the molecular formula C19H18Cl2N4 and a molecular weight of 373.29 g/mol. Its IUPAC name is 3-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
PubChem CID87241812
Molecular FormulaC19H18Cl2N4
Molecular Weight373.29 g/mol
Exact Mass372.09
IUPAC Name3-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine
SMILESClc1c(-c2cc3cnccc3c(Cl)n2)ccnc1NC1CCCCC1
InChIInChI=1S/C19H18Cl2N4/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/h6-11,13H,1-5H2,(H,23,24)
InChIKeyVTTQFCZDQNIXSK-UHFFFAOYSA-N
XLogP5.74
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.29
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[3-chloro-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 67026529
3-chloro-2-(cyclohexylamino)pyridine-4-carbonitrile
CID 107056628
5-(3-chloro-4-pyridinyl)-4-N-cyclopentylpyrimidine-2,4-diamine
CID 58299575
4-chloro-N-cyclooctylpyridin-3-amine
CID 83166915
4-[1-(3-aminopyrrolidin-1-yl)-2,6-naphthyridin-3-yl]-N-cyclohexylpyridin-2-amine
CID 25020309
N-cyclopentyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine
CID 67026736
3-(4-chlorophenyl)-N-cyclohexylisoquinolin-1-amine
CID 53475014
N-cyclopentyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine
CID 135368333
4-tert-butyl-3-chloro-N-cyclobutylpyridin-2-amine
CID 166900638
3,5,6-trichloro-N-cyclopentylpyridin-2-amine
CID 102750169
3,5-dichloro-N-cyclooctylpyridin-2-amine
CID 28517961
2-chloro-N-cyclododecyl-4-methylpyridin-3-amine
CID 65485507

Frequently Asked Questions

What is the IUPAC name of 3-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 (CID 87241812) is 3-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?
The canonical SMILES for 3-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine is Clc1c(-c2cc3cnccc3c(Cl)n2)ccnc1NC1CCCCC1.
What is the InChIKey of 3-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine?
The InChIKey is VTTQFCZDQNIXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4/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/h6-11,13H,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?
3-chloro-4-(1-chloro-2,6-naphthyridin-3-yl)-N-cyclohexylpyridin-2-amine has a molecular weight of 373.29 g/mol, XLogP of 5.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 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 is sourced from PubChem (CID 87241812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).