[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

Analyze [2-amino-6-[(1-methylpiperidin-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

Related Compounds

4-[4-Amino-5-(2-methoxybenzoyl)pyrimidin-2-ylamino]piperidine-1-carboxylic Acid Ethyl Ester
CID 9843864
[4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](5-fluoro-2-methoxyphenyl)methanone
CID 9979700
1-[4-[4-Amino-5-(2-methoxybenzoyl)pyrimidin-2-ylamino]-piperidin-1-yl]ethanone
CID 9999155
4-({4-amino-5-[(2-methoxyphenyl)carbonyl]pyrimidin-2-yl}amino)-N-ethylpiperidine-1-carboxamide
CID 10023782
1-[4-({4-Amino-5-[(2-methoxyphenyl)carbonyl]pyrimidin-2-yl}amino)piperidin-1-yl]butan-1-one
CID 10069391
[4-Amino-2-(piperidin-4-ylamino)pyrimidin-5-yl](2-methoxyphenyl)methanone
CID 10449125
[4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2-fluoro-6-methoxyphenyl)methanone
CID 11743030
[4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](4-fluoro-2-methoxyphenyl)methanone
CID 11975073
[4-Amino-2-[4-(4-methylpiperazin-1-yl)phenylamino]pyrimidin-5-yl](2-methoxyphenyl)methanone
CID 11975203
1-[4-[4-Amino-5-(2-ethoxybenzoyl)pyrimidin-2-ylamino]piperidin-1-yl]ethanone
CID 11975205
ROCK inhibitor 3
CID 46182713
[4-Amino-2-(1-methylpiperidin-4-ylamino)pyrimidin-5-yl](2-methoxyphenyl)methanone
CID 11975204

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).