5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine

C23H25ClFN5O — CID 70793996

IUPAC5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine
SMILESFc1cccc(CNc2cccc(-c3cc(NCCN4CCOCC4)ncc3Cl)n2)c1
InChIInChI=1S/C23H25ClFN5O/c24-20-16-28-23(26-7-8-30-9-11-31-12-10-30)14-19(20)21-5-2-6-22(29-21)27-15-17-3-1-4-18(25)13-17/h1-6,13-14,16H,7-12,15H2,(H,26,28)(H,27,29)
InChIKeyMAFBHBCKBGURJC-UHFFFAOYSA-N
MW441.94 g/mol
LogP4.29
Rot. Bonds8

About 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine

5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine (PubChem CID 70793996) has the molecular formula C23H25ClFN5O and a molecular weight of 441.94 g/mol. Its IUPAC name is 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine
PubChem CID70793996
Molecular FormulaC23H25ClFN5O
Molecular Weight441.94 g/mol
Exact Mass441.17
IUPAC Name5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine
SMILESFc1cccc(CNc2cccc(-c3cc(NCCN4CCOCC4)ncc3Cl)n2)c1
InChIInChI=1S/C23H25ClFN5O/c24-20-16-28-23(26-7-8-30-9-11-31-12-10-30)14-19(20)21-5-2-6-22(29-21)27-15-17-3-1-4-18(25)13-17/h1-6,13-14,16H,7-12,15H2,(H,26,28)(H,27,29)
InChIKeyMAFBHBCKBGURJC-UHFFFAOYSA-N
XLogP4.29
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.94
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine (CID 70793996) is 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine is Fc1cccc(CNc2cccc(-c3cc(NCCN4CCOCC4)ncc3Cl)n2)c1.
What is the InChIKey of 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine?
The InChIKey is MAFBHBCKBGURJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN5O/c24-20-16-28-23(26-7-8-30-9-11-31-12-10-30)14-19(20)21-5-2-6-22(29-21)27-15-17-3-1-4-18(25)13-17/h1-6,13-14,16H,7-12,15H2,(H,26,28)(H,27,29).
What are the key properties of 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine?
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine has a molecular weight of 441.94 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine is sourced from PubChem (CID 70793996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).