2-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methylamino]pyridine-3-carbonitrile

C18H20N4O — CID 167856093

IUPAC2-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NC[C@H]1C[C@@H](O)CN1Cc1ccccc1
InChIInChI=1S/C18H20N4O/c19-10-15-7-4-8-20-18(15)21-11-16-9-17(23)13-22(16)12-14-5-2-1-3-6-14/h1-8,16-17,23H,9,11-13H2,(H,20,21)/t16-,17-/m1/s1
InChIKeyJXXKEULORSLFBC-IAGOWNOFSA-N
MW308.38 g/mol
LogP2.00
Rot. Bonds5

About 2-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methylamino]pyridine-3-carbonitrile

2-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methylamino]pyridine-3-carbonitrile (PubChem CID 167856093) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methylamino]pyridine-3-carbonitrile
PubChem CID167856093
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name2-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NC[C@H]1C[C@@H](O)CN1Cc1ccccc1
InChIInChI=1S/C18H20N4O/c19-10-15-7-4-8-20-18(15)21-11-16-9-17(23)13-22(16)12-14-5-2-1-3-6-14/h1-8,16-17,23H,9,11-13H2,(H,20,21)/t16-,17-/m1/s1
InChIKeyJXXKEULORSLFBC-IAGOWNOFSA-N
XLogP2.00
TPSA72.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methylamino]pyridine-3-carbonitrile with MolForge

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Related Compounds

2-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methylamino]pyridine-3-carbonitrile
CID 128967632
N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]pyridine-3-sulfonamide
CID 155959673
(3R,5R)-1-benzyl-5-(methoxymethyl)pyrrolidin-3-ol
CID 14117026
N-benzyl-2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide
CID 95144802
5-(phenoxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 18538363
(3R,5S)-1-benzyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrrolidin-3-ol
CID 97078882
N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-3-oxocyclobutane-1-carboxamide
CID 167925784
1-benzyl-5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrrolidin-3-ol
CID 86786895
2-(thian-4-ylmethylamino)pyridine-3-carbonitrile
CID 115625296
2-(2-phenylmethoxyethylamino)pyridine-3-carbonitrile
CID 154733870
N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-1-methylcyclopropane-1-sulfonamide
CID 128574882
N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2-(cyclopropylamino)acetamide;hydrochloride
CID 110012487

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methylamino]pyridine-3-carbonitrile (CID 167856093) is 2-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methylamino]pyridine-3-carbonitrile is N#Cc1cccnc1NC[C@H]1C[C@@H](O)CN1Cc1ccccc1.
What is the InChIKey of 2-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methylamino]pyridine-3-carbonitrile?
The InChIKey is JXXKEULORSLFBC-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H20N4O/c19-10-15-7-4-8-20-18(15)21-11-16-9-17(23)13-22(16)12-14-5-2-1-3-6-14/h1-8,16-17,23H,9,11-13H2,(H,20,21)/t16-,17-/m1/s1.
What are the key properties of 2-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methylamino]pyridine-3-carbonitrile?
2-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methylamino]pyridine-3-carbonitrile has a molecular weight of 308.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 167856093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).