6-[(3,5-dichloro-4-pyridinyl)amino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one

C16H9Cl2N5O — CID 59435986

IUPAC6-[(3,5-dichloro-4-pyridinyl)amino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
SMILESO=c1[nH]ccc2c(Nc3c(Cl)cncc3Cl)nc3ccncc3c12
InChIInChI=1S/C16H9Cl2N5O/c17-10-6-20-7-11(18)14(10)23-15-8-1-4-21-16(24)13(8)9-5-19-3-2-12(9)22-15/h1-7H,(H,21,24)(H,20,22,23)
InChIKeyVQNQLGQGLJSCSM-UHFFFAOYSA-N
MW358.19 g/mol
LogP3.92
Rot. Bonds2

About 6-[(3,5-dichloro-4-pyridinyl)amino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one

6-[(3,5-dichloro-4-pyridinyl)amino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one (PubChem CID 59435986) has the molecular formula C16H9Cl2N5O and a molecular weight of 358.19 g/mol. Its IUPAC name is 6-[(3,5-dichloro-4-pyridinyl)amino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one.

Molecular Properties

Compound Name6-[(3,5-dichloro-4-pyridinyl)amino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
PubChem CID59435986
Molecular FormulaC16H9Cl2N5O
Molecular Weight358.19 g/mol
Exact Mass357.02
IUPAC Name6-[(3,5-dichloro-4-pyridinyl)amino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
SMILESO=c1[nH]ccc2c(Nc3c(Cl)cncc3Cl)nc3ccncc3c12
InChIInChI=1S/C16H9Cl2N5O/c17-10-6-20-7-11(18)14(10)23-15-8-1-4-21-16(24)13(8)9-5-19-3-2-12(9)22-15/h1-7H,(H,21,24)(H,20,22,23)
InChIKeyVQNQLGQGLJSCSM-UHFFFAOYSA-N
XLogP3.92
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.19
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dichloro-4-pyridinyl)amino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one?
The IUPAC name of 6-[(3,5-dichloro-4-pyridinyl)amino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one (CID 59435986) is 6-[(3,5-dichloro-4-pyridinyl)amino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one.
What is the SMILES notation for 6-[(3,5-dichloro-4-pyridinyl)amino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one?
The canonical SMILES for 6-[(3,5-dichloro-4-pyridinyl)amino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one is O=c1[nH]ccc2c(Nc3c(Cl)cncc3Cl)nc3ccncc3c12.
What is the InChIKey of 6-[(3,5-dichloro-4-pyridinyl)amino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one?
The InChIKey is VQNQLGQGLJSCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2N5O/c17-10-6-20-7-11(18)14(10)23-15-8-1-4-21-16(24)13(8)9-5-19-3-2-12(9)22-15/h1-7H,(H,21,24)(H,20,22,23).
What are the key properties of 6-[(3,5-dichloro-4-pyridinyl)amino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one?
6-[(3,5-dichloro-4-pyridinyl)amino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one has a molecular weight of 358.19 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dichloro-4-pyridinyl)amino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one is sourced from PubChem (CID 59435986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).