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

C23H25ClFN5 — CID 77488936

IUPAC5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-3-ylmethyl)pyridin-2-amine
SMILESFc1cccc(CNc2cccc(-c3cc(NCC4CCCNC4)ncc3Cl)n2)c1
InChIInChI=1S/C23H25ClFN5/c24-20-15-29-23(28-14-17-5-3-9-26-12-17)11-19(20)21-7-2-8-22(30-21)27-13-16-4-1-6-18(25)10-16/h1-2,4,6-8,10-11,15,17,26H,3,5,9,12-14H2,(H,27,30)(H,28,29)
InChIKeyJMLIIFDVZSUSAB-UHFFFAOYSA-N
MW425.94 g/mol
LogP4.96
Rot. Bonds7

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

5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-3-ylmethyl)pyridin-2-amine (PubChem CID 77488936) has the molecular formula C23H25ClFN5 and a molecular weight of 425.94 g/mol. Its IUPAC name is 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-3-ylmethyl)pyridin-2-amine
PubChem CID77488936
Molecular FormulaC23H25ClFN5
Molecular Weight425.94 g/mol
Exact Mass425.18
IUPAC Name5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-3-ylmethyl)pyridin-2-amine
SMILESFc1cccc(CNc2cccc(-c3cc(NCC4CCCNC4)ncc3Cl)n2)c1
InChIInChI=1S/C23H25ClFN5/c24-20-15-29-23(28-14-17-5-3-9-26-12-17)11-19(20)21-7-2-8-22(30-21)27-13-16-4-1-6-18(25)10-16/h1-2,4,6-8,10-11,15,17,26H,3,5,9,12-14H2,(H,27,30)(H,28,29)
InChIKeyJMLIIFDVZSUSAB-UHFFFAOYSA-N
XLogP4.96
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-3-ylmethyl)pyridin-2-amine (CID 77488936) is 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-3-ylmethyl)pyridin-2-amine is Fc1cccc(CNc2cccc(-c3cc(NCC4CCCNC4)ncc3Cl)n2)c1.
What is the InChIKey of 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-3-ylmethyl)pyridin-2-amine?
The InChIKey is JMLIIFDVZSUSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN5/c24-20-15-29-23(28-14-17-5-3-9-26-12-17)11-19(20)21-7-2-8-22(30-21)27-13-16-4-1-6-18(25)10-16/h1-2,4,6-8,10-11,15,17,26H,3,5,9,12-14H2,(H,27,30)(H,28,29).
What are the key properties of 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-3-ylmethyl)pyridin-2-amine?
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-3-ylmethyl)pyridin-2-amine has a molecular weight of 425.94 g/mol, XLogP of 4.96, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 77488936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).