6-(2-amino-5-chloro-4-pyridinyl)-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine

C17H20ClFN4O — CID 58284493

IUPAC6-(2-amino-5-chloro-4-pyridinyl)-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
SMILESCC1(CNc2nc(-c3cc(N)ncc3Cl)ccc2F)CCOCC1
InChIInChI=1S/C17H20ClFN4O/c1-17(4-6-24-7-5-17)10-22-16-13(19)2-3-14(23-16)11-8-15(20)21-9-12(11)18/h2-3,8-9H,4-7,10H2,1H3,(H2,20,21)(H,22,23)
InChIKeyUXCAZNLCRQIHBG-UHFFFAOYSA-N
MW350.83 g/mol
LogP3.75
Rot. Bonds4

About 6-(2-amino-5-chloro-4-pyridinyl)-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine

6-(2-amino-5-chloro-4-pyridinyl)-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine (PubChem CID 58284493) has the molecular formula C17H20ClFN4O and a molecular weight of 350.83 g/mol. Its IUPAC name is 6-(2-amino-5-chloro-4-pyridinyl)-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-(2-amino-5-chloro-4-pyridinyl)-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
PubChem CID58284493
Molecular FormulaC17H20ClFN4O
Molecular Weight350.83 g/mol
Exact Mass350.13
IUPAC Name6-(2-amino-5-chloro-4-pyridinyl)-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
SMILESCC1(CNc2nc(-c3cc(N)ncc3Cl)ccc2F)CCOCC1
InChIInChI=1S/C17H20ClFN4O/c1-17(4-6-24-7-5-17)10-22-16-13(19)2-3-14(23-16)11-8-15(20)21-9-12(11)18/h2-3,8-9H,4-7,10H2,1H3,(H2,20,21)(H,22,23)
InChIKeyUXCAZNLCRQIHBG-UHFFFAOYSA-N
XLogP3.75
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-5-chloro-4-pyridinyl)-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 6-(2-amino-5-chloro-4-pyridinyl)-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine (CID 58284493) is 6-(2-amino-5-chloro-4-pyridinyl)-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-(2-amino-5-chloro-4-pyridinyl)-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 6-(2-amino-5-chloro-4-pyridinyl)-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine is CC1(CNc2nc(-c3cc(N)ncc3Cl)ccc2F)CCOCC1.
What is the InChIKey of 6-(2-amino-5-chloro-4-pyridinyl)-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
The InChIKey is UXCAZNLCRQIHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN4O/c1-17(4-6-24-7-5-17)10-22-16-13(19)2-3-14(23-16)11-8-15(20)21-9-12(11)18/h2-3,8-9H,4-7,10H2,1H3,(H2,20,21)(H,22,23).
What are the key properties of 6-(2-amino-5-chloro-4-pyridinyl)-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
6-(2-amino-5-chloro-4-pyridinyl)-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine has a molecular weight of 350.83 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-5-chloro-4-pyridinyl)-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 58284493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).