[2-amino-6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-(5-fluoro-2-methoxyphenyl)methanone

C19H23FN4O2 — CID 11501336

IUPAC[2-amino-6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)c1ccc(NC2CCN(C)CC2)nc1N
InChIInChI=1S/C19H23FN4O2/c1-24-9-7-13(8-10-24)22-17-6-4-14(19(21)23-17)18(25)15-11-12(20)3-5-16(15)26-2/h3-6,11,13H,7-10H2,1-2H3,(H3,21,22,23)
InChIKeyHWFAOSNFJHQODY-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.55
Rot. Bonds5

About [2-amino-6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-(5-fluoro-2-methoxyphenyl)methanone

[2-amino-6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-(5-fluoro-2-methoxyphenyl)methanone (PubChem CID 11501336) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is [2-amino-6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-(5-fluoro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-amino-6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-(5-fluoro-2-methoxyphenyl)methanone
PubChem CID11501336
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name[2-amino-6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)c1ccc(NC2CCN(C)CC2)nc1N
InChIInChI=1S/C19H23FN4O2/c1-24-9-7-13(8-10-24)22-17-6-4-14(19(21)23-17)18(25)15-11-12(20)3-5-16(15)26-2/h3-6,11,13H,7-10H2,1-2H3,(H3,21,22,23)
InChIKeyHWFAOSNFJHQODY-UHFFFAOYSA-N
XLogP2.55
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-amino-6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-(5-fluoro-2-methoxyphenyl)methanone?
The IUPAC name of [2-amino-6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-(5-fluoro-2-methoxyphenyl)methanone (CID 11501336) is [2-amino-6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-(5-fluoro-2-methoxyphenyl)methanone.
What is the SMILES notation for [2-amino-6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-(5-fluoro-2-methoxyphenyl)methanone?
The canonical SMILES for [2-amino-6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-(5-fluoro-2-methoxyphenyl)methanone is COc1ccc(F)cc1C(=O)c1ccc(NC2CCN(C)CC2)nc1N.
What is the InChIKey of [2-amino-6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-(5-fluoro-2-methoxyphenyl)methanone?
The InChIKey is HWFAOSNFJHQODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-24-9-7-13(8-10-24)22-17-6-4-14(19(21)23-17)18(25)15-11-12(20)3-5-16(15)26-2/h3-6,11,13H,7-10H2,1-2H3,(H3,21,22,23).
What are the key properties of [2-amino-6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-(5-fluoro-2-methoxyphenyl)methanone?
[2-amino-6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-(5-fluoro-2-methoxyphenyl)methanone has a molecular weight of 358.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-(5-fluoro-2-methoxyphenyl)methanone is sourced from PubChem (CID 11501336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).