6-[[2-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile

C19H19FN6 — CID 138562492

IUPAC6-[[2-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Cn2c(N3CC[C@@H](F)[C@H](N)C3)nc3ccccc32)nc1
InChIInChI=1S/C19H19FN6/c20-15-7-8-25(12-16(15)22)19-24-17-3-1-2-4-18(17)26(19)11-14-6-5-13(9-21)10-23-14/h1-6,10,15-16H,7-8,11-12,22H2/t15-,16-/m1/s1
InChIKeyRFMURRVWSVAAQP-HZPDHXFCSA-N
MW350.40 g/mol
LogP2.23
Rot. Bonds3

About 6-[[2-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile

6-[[2-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile (PubChem CID 138562492) has the molecular formula C19H19FN6 and a molecular weight of 350.40 g/mol. Its IUPAC name is 6-[[2-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[2-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile
PubChem CID138562492
Molecular FormulaC19H19FN6
Molecular Weight350.40 g/mol
Exact Mass350.17
IUPAC Name6-[[2-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Cn2c(N3CC[C@@H](F)[C@H](N)C3)nc3ccccc32)nc1
InChIInChI=1S/C19H19FN6/c20-15-7-8-25(12-16(15)22)19-24-17-3-1-2-4-18(17)26(19)11-14-6-5-13(9-21)10-23-14/h1-6,10,15-16H,7-8,11-12,22H2/t15-,16-/m1/s1
InChIKeyRFMURRVWSVAAQP-HZPDHXFCSA-N
XLogP2.23
TPSA83.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[2-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]-5-chloro-6-(trifluoromethyl)benzimidazol-1-yl]methyl]pyridine-3-carbonitrile
CID 154635700
6-[[2-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]-4-chloro-6-fluorobenzimidazol-1-yl]methyl]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 155143040
(3R,4R)-1-[1-[(5-chloro-2-pyridinyl)methyl]-5-fluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine
CID 162390756
(3R,4R)-4-fluoro-1-[6-isocyano-1-[(5-isocyano-2-pyridinyl)methyl]benzimidazol-2-yl]piperidin-3-amine
CID 155619544
6-[[2-[(4aR,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile
CID 154696743
6-[[2-[(3S)-3-amino-3-methylpiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile
CID 150729815
(3R,4R)-1-[1-[(5-chloro-2-pyridinyl)methyl]-6-methylbenzimidazol-2-yl]-4-fluoropiperidin-3-amine
CID 155619701
2-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]-1-[(5-methoxypyrimidin-2-yl)methyl]benzimidazole-5-carbonitrile
CID 154635639
tert-butyl N-[(3R,4R)-4-fluoro-1-[1-[(5-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]piperidin-3-yl]carbamate;(3R,4R)-4-fluoro-1-[1-[(5-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]piperidin-3-amine;methane
CID 160816795
2-[(3R)-3-amino-4,4-difluoropiperidin-1-yl]-3-[(5-cyano-2-pyridinyl)methyl]benzimidazole-5-carbonitrile
CID 154635697
(3S)-3-amino-1-[1-[(5-cyano-2-pyridinyl)methyl]benzimidazol-2-yl]piperidine-3-carboxamide
CID 154635625
2-[[2-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]-6-chlorobenzimidazol-1-yl]methyl]benzonitrile
CID 175959377

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[[2-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile (CID 138562492) is 6-[[2-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[2-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[2-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile is N#Cc1ccc(Cn2c(N3CC[C@@H](F)[C@H](N)C3)nc3ccccc32)nc1.
What is the InChIKey of 6-[[2-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile?
The InChIKey is RFMURRVWSVAAQP-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H19FN6/c20-15-7-8-25(12-16(15)22)19-24-17-3-1-2-4-18(17)26(19)11-14-6-5-13(9-21)10-23-14/h1-6,10,15-16H,7-8,11-12,22H2/t15-,16-/m1/s1.
What are the key properties of 6-[[2-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile?
6-[[2-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile has a molecular weight of 350.40 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 138562492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).