6-(6-chloro-3-nitro-2-pyridinyl)-4-piperidin-1-yl-1,7-naphthyridine

C18H16ClN5O2 — CID 141365960

IUPAC6-(6-chloro-3-nitro-2-pyridinyl)-4-piperidin-1-yl-1,7-naphthyridine
SMILESO=[N+]([O-])c1ccc(Cl)nc1-c1cc2c(N3CCCCC3)ccnc2cn1
InChIInChI=1S/C18H16ClN5O2/c19-17-5-4-16(24(25)26)18(22-17)13-10-12-14(11-21-13)20-7-6-15(12)23-8-2-1-3-9-23/h4-7,10-11H,1-3,8-9H2
InChIKeyPGKAHNARPUITTR-UHFFFAOYSA-N
MW369.81 g/mol
LogP4.24
Rot. Bonds3

About 6-(6-chloro-3-nitro-2-pyridinyl)-4-piperidin-1-yl-1,7-naphthyridine

6-(6-chloro-3-nitro-2-pyridinyl)-4-piperidin-1-yl-1,7-naphthyridine (PubChem CID 141365960) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is 6-(6-chloro-3-nitro-2-pyridinyl)-4-piperidin-1-yl-1,7-naphthyridine.

Molecular Properties

Compound Name6-(6-chloro-3-nitro-2-pyridinyl)-4-piperidin-1-yl-1,7-naphthyridine
PubChem CID141365960
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC Name6-(6-chloro-3-nitro-2-pyridinyl)-4-piperidin-1-yl-1,7-naphthyridine
SMILESO=[N+]([O-])c1ccc(Cl)nc1-c1cc2c(N3CCCCC3)ccnc2cn1
InChIInChI=1S/C18H16ClN5O2/c19-17-5-4-16(24(25)26)18(22-17)13-10-12-14(11-21-13)20-7-6-15(12)23-8-2-1-3-9-23/h4-7,10-11H,1-3,8-9H2
InChIKeyPGKAHNARPUITTR-UHFFFAOYSA-N
XLogP4.24
TPSA85.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

8-(3-Nitro-phenyl)-6-pyridin-3-yl-[1,7]naphthyridine
CID 10664015
7-Chloro-4-[4-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]piperazin-1-yl]quinoline;hydrochloride
CID 44522352
4-(2-Chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-1,7-naphthyridin-7-ium
CID 56834671
4-(2-Chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-2-pyridin-4-yl-1,7-naphthyridin-7-ium
CID 56834672
4-(2-Chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-2-pyridin-3-yl-1,7-naphthyridin-7-ium
CID 56834673
4-[4-(4-Nitrophenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline
CID 73347281
3-Nitro-4-(4-methyl-1-piperazinyl)quinoline
CID 23723897
8-[4-(4-Chloro-2-nitrophenyl)piperazin-1-yl]-5-nitroquinoline
CID 2868660
US11458138, Example 291
CID 135368056
US11458138, Example 293
CID 135368385
US11458138, Example 278
CID 135368678
US11458138, Example 283
CID 135368696

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-3-nitro-2-pyridinyl)-4-piperidin-1-yl-1,7-naphthyridine?
The IUPAC name of 6-(6-chloro-3-nitro-2-pyridinyl)-4-piperidin-1-yl-1,7-naphthyridine (CID 141365960) is 6-(6-chloro-3-nitro-2-pyridinyl)-4-piperidin-1-yl-1,7-naphthyridine.
What is the SMILES notation for 6-(6-chloro-3-nitro-2-pyridinyl)-4-piperidin-1-yl-1,7-naphthyridine?
The canonical SMILES for 6-(6-chloro-3-nitro-2-pyridinyl)-4-piperidin-1-yl-1,7-naphthyridine is O=[N+]([O-])c1ccc(Cl)nc1-c1cc2c(N3CCCCC3)ccnc2cn1.
What is the InChIKey of 6-(6-chloro-3-nitro-2-pyridinyl)-4-piperidin-1-yl-1,7-naphthyridine?
The InChIKey is PGKAHNARPUITTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c19-17-5-4-16(24(25)26)18(22-17)13-10-12-14(11-21-13)20-7-6-15(12)23-8-2-1-3-9-23/h4-7,10-11H,1-3,8-9H2.
What are the key properties of 6-(6-chloro-3-nitro-2-pyridinyl)-4-piperidin-1-yl-1,7-naphthyridine?
6-(6-chloro-3-nitro-2-pyridinyl)-4-piperidin-1-yl-1,7-naphthyridine has a molecular weight of 369.81 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-3-nitro-2-pyridinyl)-4-piperidin-1-yl-1,7-naphthyridine is sourced from PubChem (CID 141365960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).