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

C25H27FN4O2 — CID 11704736

IUPAC[2-amino-6-[(1-benzylpiperidin-4-yl)amino]-3-pyridinyl]-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)c1ccc(NC2CCN(Cc3ccccc3)CC2)nc1N
InChIInChI=1S/C25H27FN4O2/c1-32-22-9-7-18(26)15-21(22)24(31)20-8-10-23(29-25(20)27)28-19-11-13-30(14-12-19)16-17-5-3-2-4-6-17/h2-10,15,19H,11-14,16H2,1H3,(H3,27,28,29)
InChIKeyPEAQIDOIQQOENN-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.12
Rot. Bonds7

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

[2-amino-6-[(1-benzylpiperidin-4-yl)amino]-3-pyridinyl]-(5-fluoro-2-methoxyphenyl)methanone (PubChem CID 11704736) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is [2-amino-6-[(1-benzylpiperidin-4-yl)amino]-3-pyridinyl]-(5-fluoro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-amino-6-[(1-benzylpiperidin-4-yl)amino]-3-pyridinyl]-(5-fluoro-2-methoxyphenyl)methanone
PubChem CID11704736
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC Name[2-amino-6-[(1-benzylpiperidin-4-yl)amino]-3-pyridinyl]-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)c1ccc(NC2CCN(Cc3ccccc3)CC2)nc1N
InChIInChI=1S/C25H27FN4O2/c1-32-22-9-7-18(26)15-21(22)24(31)20-8-10-23(29-25(20)27)28-19-11-13-30(14-12-19)16-17-5-3-2-4-6-17/h2-10,15,19H,11-14,16H2,1H3,(H3,27,28,29)
InChIKeyPEAQIDOIQQOENN-UHFFFAOYSA-N
XLogP4.12
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-amino-6-[(1-benzylpiperidin-4-yl)amino]-3-pyridinyl]-(5-fluoro-2-methoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-[(1-benzylpiperidin-4-yl)amino]-3-pyridinyl]-(5-fluoro-2-methoxyphenyl)methanone?
The IUPAC name of [2-amino-6-[(1-benzylpiperidin-4-yl)amino]-3-pyridinyl]-(5-fluoro-2-methoxyphenyl)methanone (CID 11704736) is [2-amino-6-[(1-benzylpiperidin-4-yl)amino]-3-pyridinyl]-(5-fluoro-2-methoxyphenyl)methanone.
What is the SMILES notation for [2-amino-6-[(1-benzylpiperidin-4-yl)amino]-3-pyridinyl]-(5-fluoro-2-methoxyphenyl)methanone?
The canonical SMILES for [2-amino-6-[(1-benzylpiperidin-4-yl)amino]-3-pyridinyl]-(5-fluoro-2-methoxyphenyl)methanone is COc1ccc(F)cc1C(=O)c1ccc(NC2CCN(Cc3ccccc3)CC2)nc1N.
What is the InChIKey of [2-amino-6-[(1-benzylpiperidin-4-yl)amino]-3-pyridinyl]-(5-fluoro-2-methoxyphenyl)methanone?
The InChIKey is PEAQIDOIQQOENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-32-22-9-7-18(26)15-21(22)24(31)20-8-10-23(29-25(20)27)28-19-11-13-30(14-12-19)16-17-5-3-2-4-6-17/h2-10,15,19H,11-14,16H2,1H3,(H3,27,28,29).
What are the key properties of [2-amino-6-[(1-benzylpiperidin-4-yl)amino]-3-pyridinyl]-(5-fluoro-2-methoxyphenyl)methanone?
[2-amino-6-[(1-benzylpiperidin-4-yl)amino]-3-pyridinyl]-(5-fluoro-2-methoxyphenyl)methanone has a molecular weight of 434.52 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-[(1-benzylpiperidin-4-yl)amino]-3-pyridinyl]-(5-fluoro-2-methoxyphenyl)methanone is sourced from PubChem (CID 11704736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).