N-[5-(2-chloro-4-pyridinyl)-3-pyridinyl]-6-methoxypyridin-3-amine

C16H13ClN4O — CID 87091267

IUPACN-[5-(2-chloro-4-pyridinyl)-3-pyridinyl]-6-methoxypyridin-3-amine
SMILESCOc1ccc(Nc2cncc(-c3ccnc(Cl)c3)c2)cn1
InChIInChI=1S/C16H13ClN4O/c1-22-16-3-2-13(10-20-16)21-14-6-12(8-18-9-14)11-4-5-19-15(17)7-11/h2-10,21H,1H3
InChIKeyACSGHORLZSILNC-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.94
Rot. Bonds4

About N-[5-(2-chloro-4-pyridinyl)-3-pyridinyl]-6-methoxypyridin-3-amine

N-[5-(2-chloro-4-pyridinyl)-3-pyridinyl]-6-methoxypyridin-3-amine (PubChem CID 87091267) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is N-[5-(2-chloro-4-pyridinyl)-3-pyridinyl]-6-methoxypyridin-3-amine.

Molecular Properties

Compound NameN-[5-(2-chloro-4-pyridinyl)-3-pyridinyl]-6-methoxypyridin-3-amine
PubChem CID87091267
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC NameN-[5-(2-chloro-4-pyridinyl)-3-pyridinyl]-6-methoxypyridin-3-amine
SMILESCOc1ccc(Nc2cncc(-c3ccnc(Cl)c3)c2)cn1
InChIInChI=1S/C16H13ClN4O/c1-22-16-3-2-13(10-20-16)21-14-6-12(8-18-9-14)11-4-5-19-15(17)7-11/h2-10,21H,1H3
InChIKeyACSGHORLZSILNC-UHFFFAOYSA-N
XLogP3.94
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chloro-4-pyridinyl)-3-pyridinyl]-6-methoxypyridin-3-amine?
The IUPAC name of N-[5-(2-chloro-4-pyridinyl)-3-pyridinyl]-6-methoxypyridin-3-amine (CID 87091267) is N-[5-(2-chloro-4-pyridinyl)-3-pyridinyl]-6-methoxypyridin-3-amine.
What is the SMILES notation for N-[5-(2-chloro-4-pyridinyl)-3-pyridinyl]-6-methoxypyridin-3-amine?
The canonical SMILES for N-[5-(2-chloro-4-pyridinyl)-3-pyridinyl]-6-methoxypyridin-3-amine is COc1ccc(Nc2cncc(-c3ccnc(Cl)c3)c2)cn1.
What is the InChIKey of N-[5-(2-chloro-4-pyridinyl)-3-pyridinyl]-6-methoxypyridin-3-amine?
The InChIKey is ACSGHORLZSILNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c1-22-16-3-2-13(10-20-16)21-14-6-12(8-18-9-14)11-4-5-19-15(17)7-11/h2-10,21H,1H3.
What are the key properties of N-[5-(2-chloro-4-pyridinyl)-3-pyridinyl]-6-methoxypyridin-3-amine?
N-[5-(2-chloro-4-pyridinyl)-3-pyridinyl]-6-methoxypyridin-3-amine has a molecular weight of 312.76 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chloro-4-pyridinyl)-3-pyridinyl]-6-methoxypyridin-3-amine is sourced from PubChem (CID 87091267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).