2-[cyclopropyl-[(2R)-2-hydroxy-2-phenylethyl]amino]pyridine-3-carbonitrile

C17H17N3O — CID 97228477

IUPAC2-[cyclopropyl-[(2R)-2-hydroxy-2-phenylethyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N(C[C@H](O)c1ccccc1)C1CC1
InChIInChI=1S/C17H17N3O/c18-11-14-7-4-10-19-17(14)20(15-8-9-15)12-16(21)13-5-2-1-3-6-13/h1-7,10,15-16,21H,8-9,12H2/t16-/m0/s1
InChIKeyKUSBDRXSCXMYBP-INIZCTEOSA-N
MW279.34 g/mol
LogP2.66
Rot. Bonds5

About 2-[cyclopropyl-[(2R)-2-hydroxy-2-phenylethyl]amino]pyridine-3-carbonitrile

2-[cyclopropyl-[(2R)-2-hydroxy-2-phenylethyl]amino]pyridine-3-carbonitrile (PubChem CID 97228477) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[cyclopropyl-[(2R)-2-hydroxy-2-phenylethyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[cyclopropyl-[(2R)-2-hydroxy-2-phenylethyl]amino]pyridine-3-carbonitrile
PubChem CID97228477
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-[cyclopropyl-[(2R)-2-hydroxy-2-phenylethyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N(C[C@H](O)c1ccccc1)C1CC1
InChIInChI=1S/C17H17N3O/c18-11-14-7-4-10-19-17(14)20(15-8-9-15)12-16(21)13-5-2-1-3-6-13/h1-7,10,15-16,21H,8-9,12H2/t16-/m0/s1
InChIKeyKUSBDRXSCXMYBP-INIZCTEOSA-N
XLogP2.66
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(propyl)amino]pyridine-3-carbonitrile
CID 43270562
2-[(4-aminophenyl)methyl-cyclopropylamino]pyridine-3-carbonitrile
CID 60876489
2-[cyclopropyl-(5-nitro-2-pyridinyl)amino]-1-phenylethanol
CID 75381956
(1R)-2-[cyclopropyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylethanol
CID 97228479
3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanenitrile
CID 55135554
2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-carbonitrile
CID 61232349
2-[(3S)-4-[(2R)-2-hydroxy-2-phenylethyl]-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 95321302
2-[cyclopropyl(ethyl)amino]benzonitrile
CID 43264326
2-(N-ethylanilino)pyridine-3-carbonitrile
CID 24708158
2-(diethylamino)pyridine-3-carbonitrile
CID 10012430
2-(dicyclohexylamino)-1-phenylethanol
CID 10946557
2-[cyclopropyl(2,2-difluoroethyl)amino]-1-phenylethanol
CID 111107133

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(2R)-2-hydroxy-2-phenylethyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[cyclopropyl-[(2R)-2-hydroxy-2-phenylethyl]amino]pyridine-3-carbonitrile (CID 97228477) is 2-[cyclopropyl-[(2R)-2-hydroxy-2-phenylethyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[cyclopropyl-[(2R)-2-hydroxy-2-phenylethyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[cyclopropyl-[(2R)-2-hydroxy-2-phenylethyl]amino]pyridine-3-carbonitrile is N#Cc1cccnc1N(C[C@H](O)c1ccccc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[(2R)-2-hydroxy-2-phenylethyl]amino]pyridine-3-carbonitrile?
The InChIKey is KUSBDRXSCXMYBP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17N3O/c18-11-14-7-4-10-19-17(14)20(15-8-9-15)12-16(21)13-5-2-1-3-6-13/h1-7,10,15-16,21H,8-9,12H2/t16-/m0/s1.
What are the key properties of 2-[cyclopropyl-[(2R)-2-hydroxy-2-phenylethyl]amino]pyridine-3-carbonitrile?
2-[cyclopropyl-[(2R)-2-hydroxy-2-phenylethyl]amino]pyridine-3-carbonitrile has a molecular weight of 279.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(2R)-2-hydroxy-2-phenylethyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 97228477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).