2-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile

C24H28N4 — CID 97186777

IUPAC2-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC3(CC2)C[C@@H](c2ccccc2)CN(C2CC2)C3)c1
InChIInChI=1S/C24H28N4/c25-16-19-8-11-26-23(14-19)27-12-9-24(10-13-27)15-21(20-4-2-1-3-5-20)17-28(18-24)22-6-7-22/h1-5,8,11,14,21-22H,6-7,9-10,12-13,15,17-18H2/t21-/m1/s1
InChIKeyAEXOKDPRXOZFSV-OAQYLSRUSA-N
MW372.52 g/mol
LogP4.19
Rot. Bonds3

About 2-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile

2-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile (PubChem CID 97186777) has the molecular formula C24H28N4 and a molecular weight of 372.52 g/mol. Its IUPAC name is 2-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile
PubChem CID97186777
Molecular FormulaC24H28N4
Molecular Weight372.52 g/mol
Exact Mass372.23
IUPAC Name2-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC3(CC2)C[C@@H](c2ccccc2)CN(C2CC2)C3)c1
InChIInChI=1S/C24H28N4/c25-16-19-8-11-26-23(14-19)27-12-9-24(10-13-27)15-21(20-4-2-1-3-5-20)17-28(18-24)22-6-7-22/h1-5,8,11,14,21-22H,6-7,9-10,12-13,15,17-18H2/t21-/m1/s1
InChIKeyAEXOKDPRXOZFSV-OAQYLSRUSA-N
XLogP4.19
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-6-methylpyrimidin-2-amine
CID 97202620
2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile
CID 61242795
2-[(2R,4S)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile
CID 154570300
(4S)-2-cyclopropyl-9-(cyclopropylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97190011
2-[4-hydroxy-2-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile
CID 176507014
[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
CID 97200921
3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propan-1-ol
CID 97202997
2-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-methylacetamide
CID 72841925
2-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 56820315
3-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-ethyl-1,2,4-oxadiazole
CID 72841457
3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propanoic acid
CID 97199559
(4R)-2-cyclopropyl-9-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97208828

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile (CID 97186777) is 2-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile is N#Cc1ccnc(N2CCC3(CC2)C[C@@H](c2ccccc2)CN(C2CC2)C3)c1.
What is the InChIKey of 2-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile?
The InChIKey is AEXOKDPRXOZFSV-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H28N4/c25-16-19-8-11-26-23(14-19)27-12-9-24(10-13-27)15-21(20-4-2-1-3-5-20)17-28(18-24)22-6-7-22/h1-5,8,11,14,21-22H,6-7,9-10,12-13,15,17-18H2/t21-/m1/s1.
What are the key properties of 2-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile?
2-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile has a molecular weight of 372.52 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 97186777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).