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

C19H18ClN5O2 — CID 76773623

IUPAC6-(6-chloro-3-nitro-2-pyridinyl)-4-(3-methylpiperidin-1-yl)-1,7-naphthyridine
SMILESCC1CCCN(c2ccnc3cnc(-c4nc(Cl)ccc4[N+](=O)[O-])cc23)C1
InChIInChI=1S/C19H18ClN5O2/c1-12-3-2-8-24(11-12)16-6-7-21-15-10-22-14(9-13(15)16)19-17(25(26)27)4-5-18(20)23-19/h4-7,9-10,12H,2-3,8,11H2,1H3
InChIKeyVIRAIILYRXTOMR-UHFFFAOYSA-N
MW383.84 g/mol
LogP4.49
Rot. Bonds3

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

6-(6-chloro-3-nitro-2-pyridinyl)-4-(3-methylpiperidin-1-yl)-1,7-naphthyridine (PubChem CID 76773623) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is 6-(6-chloro-3-nitro-2-pyridinyl)-4-(3-methylpiperidin-1-yl)-1,7-naphthyridine.

Molecular Properties

Compound Name6-(6-chloro-3-nitro-2-pyridinyl)-4-(3-methylpiperidin-1-yl)-1,7-naphthyridine
PubChem CID76773623
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC Name6-(6-chloro-3-nitro-2-pyridinyl)-4-(3-methylpiperidin-1-yl)-1,7-naphthyridine
SMILESCC1CCCN(c2ccnc3cnc(-c4nc(Cl)ccc4[N+](=O)[O-])cc23)C1
InChIInChI=1S/C19H18ClN5O2/c1-12-3-2-8-24(11-12)16-6-7-21-15-10-22-14(9-13(15)16)19-17(25(26)27)4-5-18(20)23-19/h4-7,9-10,12H,2-3,8,11H2,1H3
InChIKeyVIRAIILYRXTOMR-UHFFFAOYSA-N
XLogP4.49
TPSA85.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 54.49
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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Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-3-nitro-2-pyridinyl)-4-(3-methylpiperidin-1-yl)-1,7-naphthyridine?
The IUPAC name of 6-(6-chloro-3-nitro-2-pyridinyl)-4-(3-methylpiperidin-1-yl)-1,7-naphthyridine (CID 76773623) is 6-(6-chloro-3-nitro-2-pyridinyl)-4-(3-methylpiperidin-1-yl)-1,7-naphthyridine.
What is the SMILES notation for 6-(6-chloro-3-nitro-2-pyridinyl)-4-(3-methylpiperidin-1-yl)-1,7-naphthyridine?
The canonical SMILES for 6-(6-chloro-3-nitro-2-pyridinyl)-4-(3-methylpiperidin-1-yl)-1,7-naphthyridine is CC1CCCN(c2ccnc3cnc(-c4nc(Cl)ccc4[N+](=O)[O-])cc23)C1.
What is the InChIKey of 6-(6-chloro-3-nitro-2-pyridinyl)-4-(3-methylpiperidin-1-yl)-1,7-naphthyridine?
The InChIKey is VIRAIILYRXTOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c1-12-3-2-8-24(11-12)16-6-7-21-15-10-22-14(9-13(15)16)19-17(25(26)27)4-5-18(20)23-19/h4-7,9-10,12H,2-3,8,11H2,1H3.
What are the key properties of 6-(6-chloro-3-nitro-2-pyridinyl)-4-(3-methylpiperidin-1-yl)-1,7-naphthyridine?
6-(6-chloro-3-nitro-2-pyridinyl)-4-(3-methylpiperidin-1-yl)-1,7-naphthyridine has a molecular weight of 383.84 g/mol, XLogP of 4.49, 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-(3-methylpiperidin-1-yl)-1,7-naphthyridine is sourced from PubChem (CID 76773623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).