6-(2-amino-5-chloro-4-pyridinyl)-N-[(4-ethyloxan-4-yl)methyl]-3-fluoropyridin-2-amine

C18H22ClFN4O — CID 58284808

IUPAC6-(2-amino-5-chloro-4-pyridinyl)-N-[(4-ethyloxan-4-yl)methyl]-3-fluoropyridin-2-amine
SMILESCCC1(CNc2nc(-c3cc(N)ncc3Cl)ccc2F)CCOCC1
InChIInChI=1S/C18H22ClFN4O/c1-2-18(5-7-25-8-6-18)11-23-17-14(20)3-4-15(24-17)12-9-16(21)22-10-13(12)19/h3-4,9-10H,2,5-8,11H2,1H3,(H2,21,22)(H,23,24)
InChIKeyPALZVPARQRYXSU-UHFFFAOYSA-N
MW364.85 g/mol
LogP4.14
Rot. Bonds5

About 6-(2-amino-5-chloro-4-pyridinyl)-N-[(4-ethyloxan-4-yl)methyl]-3-fluoropyridin-2-amine

6-(2-amino-5-chloro-4-pyridinyl)-N-[(4-ethyloxan-4-yl)methyl]-3-fluoropyridin-2-amine (PubChem CID 58284808) has the molecular formula C18H22ClFN4O and a molecular weight of 364.85 g/mol. Its IUPAC name is 6-(2-amino-5-chloro-4-pyridinyl)-N-[(4-ethyloxan-4-yl)methyl]-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name6-(2-amino-5-chloro-4-pyridinyl)-N-[(4-ethyloxan-4-yl)methyl]-3-fluoropyridin-2-amine
PubChem CID58284808
Molecular FormulaC18H22ClFN4O
Molecular Weight364.85 g/mol
Exact Mass364.15
IUPAC Name6-(2-amino-5-chloro-4-pyridinyl)-N-[(4-ethyloxan-4-yl)methyl]-3-fluoropyridin-2-amine
SMILESCCC1(CNc2nc(-c3cc(N)ncc3Cl)ccc2F)CCOCC1
InChIInChI=1S/C18H22ClFN4O/c1-2-18(5-7-25-8-6-18)11-23-17-14(20)3-4-15(24-17)12-9-16(21)22-10-13(12)19/h3-4,9-10H,2,5-8,11H2,1H3,(H2,21,22)(H,23,24)
InChIKeyPALZVPARQRYXSU-UHFFFAOYSA-N
XLogP4.14
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 54.14
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)-N-[(4-ethyloxan-4-yl)methyl]-3-fluoropyridin-2-amine?
The IUPAC name of 6-(2-amino-5-chloro-4-pyridinyl)-N-[(4-ethyloxan-4-yl)methyl]-3-fluoropyridin-2-amine (CID 58284808) is 6-(2-amino-5-chloro-4-pyridinyl)-N-[(4-ethyloxan-4-yl)methyl]-3-fluoropyridin-2-amine.
What is the SMILES notation for 6-(2-amino-5-chloro-4-pyridinyl)-N-[(4-ethyloxan-4-yl)methyl]-3-fluoropyridin-2-amine?
The canonical SMILES for 6-(2-amino-5-chloro-4-pyridinyl)-N-[(4-ethyloxan-4-yl)methyl]-3-fluoropyridin-2-amine is CCC1(CNc2nc(-c3cc(N)ncc3Cl)ccc2F)CCOCC1.
What is the InChIKey of 6-(2-amino-5-chloro-4-pyridinyl)-N-[(4-ethyloxan-4-yl)methyl]-3-fluoropyridin-2-amine?
The InChIKey is PALZVPARQRYXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClFN4O/c1-2-18(5-7-25-8-6-18)11-23-17-14(20)3-4-15(24-17)12-9-16(21)22-10-13(12)19/h3-4,9-10H,2,5-8,11H2,1H3,(H2,21,22)(H,23,24).
What are the key properties of 6-(2-amino-5-chloro-4-pyridinyl)-N-[(4-ethyloxan-4-yl)methyl]-3-fluoropyridin-2-amine?
6-(2-amino-5-chloro-4-pyridinyl)-N-[(4-ethyloxan-4-yl)methyl]-3-fluoropyridin-2-amine has a molecular weight of 364.85 g/mol, XLogP of 4.14, 5 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)-N-[(4-ethyloxan-4-yl)methyl]-3-fluoropyridin-2-amine is sourced from PubChem (CID 58284808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).