N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylpyrrolidine-1-carboxamide

C16H20N4O — CID 122590666

IUPACN-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylpyrrolidine-1-carboxamide
SMILESN#CN1CC[C@@H](NC(=O)N2CCC(c3ccccc3)C2)C1
InChIInChI=1S/C16H20N4O/c17-12-19-8-7-15(11-19)18-16(21)20-9-6-14(10-20)13-4-2-1-3-5-13/h1-5,14-15H,6-11H2,(H,18,21)/t14?,15-/m1/s1
InChIKeyRMACRKNETAJHEE-YSSOQSIOSA-N
MW284.36 g/mol
LogP1.74
Rot. Bonds2

About N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylpyrrolidine-1-carboxamide

N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylpyrrolidine-1-carboxamide (PubChem CID 122590666) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylpyrrolidine-1-carboxamide
PubChem CID122590666
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylpyrrolidine-1-carboxamide
SMILESN#CN1CC[C@@H](NC(=O)N2CCC(c3ccccc3)C2)C1
InChIInChI=1S/C16H20N4O/c17-12-19-8-7-15(11-19)18-16(21)20-9-6-14(10-20)13-4-2-1-3-5-13/h1-5,14-15H,6-11H2,(H,18,21)/t14?,15-/m1/s1
InChIKeyRMACRKNETAJHEE-YSSOQSIOSA-N
XLogP1.74
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyanopyrrolidin-3-yl)-2-phenylmorpholine-4-carboxamide
CID 134363678
(3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpyrrolidine-1-carboxamide
CID 95592066
N-(5-oxo-1-phenylpyrrolidin-3-yl)-3-phenylpyrrolidine-1-carboxamide
CID 71882274
N-(1-cyanopyrrolidin-3-yl)-3-methoxy-3-phenylazetidine-1-carboxamide
CID 122590683
N-[(3R)-1-cyanopyrrolidin-3-yl]-3-methoxy-3-phenylazetidine-1-carboxamide;N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-3-phenylazetidine-1-carboxamide
CID 158443838
N-[(3R)-1-cyanopyrrolidin-3-yl]-3-(5-methyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide
CID 139451895
(1-cyanopyrrolidin-3-yl)carbamic acid
CID 91325257
2-(cyclopentylamino)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 62133775
3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 5112154
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
4-oxo-4-[(3-phenylpyrrolidine-1-carbonyl)amino]but-2-enoic acid
CID 76936470
N-(1-cyanopyrrolidin-3-yl)-5-phenylpyrimidine-2-carboxamide
CID 122590469

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylpyrrolidine-1-carboxamide?
The IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylpyrrolidine-1-carboxamide (CID 122590666) is N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylpyrrolidine-1-carboxamide is N#CN1CC[C@@H](NC(=O)N2CCC(c3ccccc3)C2)C1.
What is the InChIKey of N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylpyrrolidine-1-carboxamide?
The InChIKey is RMACRKNETAJHEE-YSSOQSIOSA-N. The full InChI is InChI=1S/C16H20N4O/c17-12-19-8-7-15(11-19)18-16(21)20-9-6-14(10-20)13-4-2-1-3-5-13/h1-5,14-15H,6-11H2,(H,18,21)/t14?,15-/m1/s1.
What are the key properties of N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylpyrrolidine-1-carboxamide?
N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylpyrrolidine-1-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 122590666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).