6-chloro-N-[(2-fluoro-3-pyridinyl)-pyridin-3-ylmethyl]-N-(6-methoxy-3-pyridinyl)pyridin-2-amine

C22H17ClFN5O — CID 25056808

IUPAC6-chloro-N-[(2-fluoro-3-pyridinyl)-pyridin-3-ylmethyl]-N-(6-methoxy-3-pyridinyl)pyridin-2-amine
SMILESCOc1ccc(N(c2cccc(Cl)n2)C(c2cccnc2)c2cccnc2F)cn1
InChIInChI=1S/C22H17ClFN5O/c1-30-20-10-9-16(14-27-20)29(19-8-2-7-18(23)28-19)21(15-5-3-11-25-13-15)17-6-4-12-26-22(17)24/h2-14,21H,1H3
InChIKeyAICHKSZZDRTVAA-UHFFFAOYSA-N
MW421.86 g/mol
LogP5.00
Rot. Bonds6

About 6-chloro-N-[(2-fluoro-3-pyridinyl)-pyridin-3-ylmethyl]-N-(6-methoxy-3-pyridinyl)pyridin-2-amine

6-chloro-N-[(2-fluoro-3-pyridinyl)-pyridin-3-ylmethyl]-N-(6-methoxy-3-pyridinyl)pyridin-2-amine (PubChem CID 25056808) has the molecular formula C22H17ClFN5O and a molecular weight of 421.86 g/mol. Its IUPAC name is 6-chloro-N-[(2-fluoro-3-pyridinyl)-pyridin-3-ylmethyl]-N-(6-methoxy-3-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(2-fluoro-3-pyridinyl)-pyridin-3-ylmethyl]-N-(6-methoxy-3-pyridinyl)pyridin-2-amine
PubChem CID25056808
Molecular FormulaC22H17ClFN5O
Molecular Weight421.86 g/mol
Exact Mass421.11
IUPAC Name6-chloro-N-[(2-fluoro-3-pyridinyl)-pyridin-3-ylmethyl]-N-(6-methoxy-3-pyridinyl)pyridin-2-amine
SMILESCOc1ccc(N(c2cccc(Cl)n2)C(c2cccnc2)c2cccnc2F)cn1
InChIInChI=1S/C22H17ClFN5O/c1-30-20-10-9-16(14-27-20)29(19-8-2-7-18(23)28-19)21(15-5-3-11-25-13-15)17-6-4-12-26-22(17)24/h2-14,21H,1H3
InChIKeyAICHKSZZDRTVAA-UHFFFAOYSA-N
XLogP5.00
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.86
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 6-chloro-N-[(2-fluoro-3-pyridinyl)-pyridin-3-ylmethyl]-N-(6-methoxy-3-pyridinyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-[(2-fluoro-3-pyridinyl)-pyridin-3-ylmethyl]-N-(6-methoxy-3-pyridinyl)pyridin-2-amine (CID 25056808) is 6-chloro-N-[(2-fluoro-3-pyridinyl)-pyridin-3-ylmethyl]-N-(6-methoxy-3-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[(2-fluoro-3-pyridinyl)-pyridin-3-ylmethyl]-N-(6-methoxy-3-pyridinyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[(2-fluoro-3-pyridinyl)-pyridin-3-ylmethyl]-N-(6-methoxy-3-pyridinyl)pyridin-2-amine is COc1ccc(N(c2cccc(Cl)n2)C(c2cccnc2)c2cccnc2F)cn1.
What is the InChIKey of 6-chloro-N-[(2-fluoro-3-pyridinyl)-pyridin-3-ylmethyl]-N-(6-methoxy-3-pyridinyl)pyridin-2-amine?
The InChIKey is AICHKSZZDRTVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN5O/c1-30-20-10-9-16(14-27-20)29(19-8-2-7-18(23)28-19)21(15-5-3-11-25-13-15)17-6-4-12-26-22(17)24/h2-14,21H,1H3.
What are the key properties of 6-chloro-N-[(2-fluoro-3-pyridinyl)-pyridin-3-ylmethyl]-N-(6-methoxy-3-pyridinyl)pyridin-2-amine?
6-chloro-N-[(2-fluoro-3-pyridinyl)-pyridin-3-ylmethyl]-N-(6-methoxy-3-pyridinyl)pyridin-2-amine has a molecular weight of 421.86 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2-fluoro-3-pyridinyl)-pyridin-3-ylmethyl]-N-(6-methoxy-3-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 25056808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).