2-fluoro-6-[[(3S,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]benzonitrile

C19H21FN4 — CID 98768835

IUPAC2-fluoro-6-[[(3S,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]benzonitrile
SMILESC[C@H]1CN(Cc2ccccn2)CC[C@H]1Nc1cccc(F)c1C#N
InChIInChI=1S/C19H21FN4/c1-14-12-24(13-15-5-2-3-9-22-15)10-8-18(14)23-19-7-4-6-17(20)16(19)11-21/h2-7,9,14,18,23H,8,10,12-13H2,1H3/t14-,18+/m0/s1
InChIKeyMWTRZQPDQLFVPO-KBXCAEBGSA-N
MW324.40 g/mol
LogP3.41
Rot. Bonds4

About 2-fluoro-6-[[(3S,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]benzonitrile

2-fluoro-6-[[(3S,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]benzonitrile (PubChem CID 98768835) has the molecular formula C19H21FN4 and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-fluoro-6-[[(3S,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[[(3S,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]benzonitrile
PubChem CID98768835
Molecular FormulaC19H21FN4
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name2-fluoro-6-[[(3S,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]benzonitrile
SMILESC[C@H]1CN(Cc2ccccn2)CC[C@H]1Nc1cccc(F)c1C#N
InChIInChI=1S/C19H21FN4/c1-14-12-24(13-15-5-2-3-9-22-15)10-8-18(14)23-19-7-4-6-17(20)16(19)11-21/h2-7,9,14,18,23H,8,10,12-13H2,1H3/t14-,18+/m0/s1
InChIKeyMWTRZQPDQLFVPO-KBXCAEBGSA-N
XLogP3.41
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-6-[[(3S,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]benzonitrile 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

2-fluoro-6-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]benzonitrile
CID 95980421
1-[2-fluoro-6-[[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]phenyl]ethanone
CID 124866036
1-[2-fluoro-6-[[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]phenyl]ethanone
CID 96503542
2-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 95980423
8-fluoro-2-methyl-N-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]quinolin-4-amine
CID 133393992
2-[[(3S,4R)-1-benzyl-3-(hydroxymethyl)piperidin-4-yl]amino]-6-fluorobenzonitrile
CID 100857897
6-ethoxy-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 124735936
methyl 4-[[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidine-1-carboxylate
CID 124732005
(3R,4S)-3-methyl-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 124864799
1-[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-phenylurea
CID 95629029
2-[(1S)-1-[[(3S,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propyl]phenol
CID 99701828
2-[(1S)-1-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propyl]phenol
CID 99701830

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[(3S,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]benzonitrile?
The IUPAC name of 2-fluoro-6-[[(3S,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]benzonitrile (CID 98768835) is 2-fluoro-6-[[(3S,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[[(3S,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]benzonitrile?
The canonical SMILES for 2-fluoro-6-[[(3S,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]benzonitrile is C[C@H]1CN(Cc2ccccn2)CC[C@H]1Nc1cccc(F)c1C#N.
What is the InChIKey of 2-fluoro-6-[[(3S,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]benzonitrile?
The InChIKey is MWTRZQPDQLFVPO-KBXCAEBGSA-N. The full InChI is InChI=1S/C19H21FN4/c1-14-12-24(13-15-5-2-3-9-22-15)10-8-18(14)23-19-7-4-6-17(20)16(19)11-21/h2-7,9,14,18,23H,8,10,12-13H2,1H3/t14-,18+/m0/s1.
What are the key properties of 2-fluoro-6-[[(3S,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]benzonitrile?
2-fluoro-6-[[(3S,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]benzonitrile has a molecular weight of 324.40 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[(3S,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]benzonitrile is sourced from PubChem (CID 98768835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).