N-[(3R)-1-cyanopyrrolidin-3-yl]-4-pyridin-2-ylpyridine-2-carboxamide

C16H15N5O — CID 122590587

IUPACN-[(3R)-1-cyanopyrrolidin-3-yl]-4-pyridin-2-ylpyridine-2-carboxamide
SMILESN#CN1CC[C@@H](NC(=O)c2cc(-c3ccccn3)ccn2)C1
InChIInChI=1S/C16H15N5O/c17-11-21-8-5-13(10-21)20-16(22)15-9-12(4-7-19-15)14-3-1-2-6-18-14/h1-4,6-7,9,13H,5,8,10H2,(H,20,22)/t13-/m1/s1
InChIKeyHPFRCLKDIDSUOB-CYBMUJFWSA-N
MW293.33 g/mol
LogP1.43
Rot. Bonds3

About N-[(3R)-1-cyanopyrrolidin-3-yl]-4-pyridin-2-ylpyridine-2-carboxamide

N-[(3R)-1-cyanopyrrolidin-3-yl]-4-pyridin-2-ylpyridine-2-carboxamide (PubChem CID 122590587) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[(3R)-1-cyanopyrrolidin-3-yl]-4-pyridin-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cyanopyrrolidin-3-yl]-4-pyridin-2-ylpyridine-2-carboxamide
PubChem CID122590587
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-[(3R)-1-cyanopyrrolidin-3-yl]-4-pyridin-2-ylpyridine-2-carboxamide
SMILESN#CN1CC[C@@H](NC(=O)c2cc(-c3ccccn3)ccn2)C1
InChIInChI=1S/C16H15N5O/c17-11-21-8-5-13(10-21)20-16(22)15-9-12(4-7-19-15)14-3-1-2-6-18-14/h1-4,6-7,9,13H,5,8,10H2,(H,20,22)/t13-/m1/s1
InChIKeyHPFRCLKDIDSUOB-CYBMUJFWSA-N
XLogP1.43
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyanopyrrolidin-3-yl)-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 168909159
2-(3-cyanophenyl)-N-(1-cyanopyrrolidin-3-yl)pyridine-4-carboxamide
CID 155229705
N-(1-cyanopyrrolidin-3-yl)-4-[methyl(2-methylpropanoyl)amino]pyridine-2-carboxamide
CID 134363605
N-(1-cyanopyrrolidin-3-yl)-3-(2-methyl-4-pyridinyl)-1,2-oxazole-5-carboxamide
CID 122590609
N-[(3R)-1-cyanopyrrolidin-3-yl]-4-[methyl(2-methylpropyl)amino]pyridine-2-carboxamide
CID 175494441
N-(1-cyanopyrrolidin-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 122590866
N-(1-cyanopyrrolidin-3-yl)-1-phenylpyrazole-3-carboxamide
CID 134363588
N-(1-cyanopyrrolidin-3-yl)-5-phenylpyrimidine-2-carboxamide
CID 122590469
N-[(3R)-1-cyanopyrrolidin-3-yl]-3-(2-ethyl-4-pyridinyl)-1,2-oxazole-5-carboxamide
CID 170247442
N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide
CID 59568965
N-(1-cyanopyrrolidin-3-yl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 122590667
N-(1-cyanopyrrolidin-3-yl)-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 155803029

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-4-pyridin-2-ylpyridine-2-carboxamide?
The IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-4-pyridin-2-ylpyridine-2-carboxamide (CID 122590587) is N-[(3R)-1-cyanopyrrolidin-3-yl]-4-pyridin-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-cyanopyrrolidin-3-yl]-4-pyridin-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(3R)-1-cyanopyrrolidin-3-yl]-4-pyridin-2-ylpyridine-2-carboxamide is N#CN1CC[C@@H](NC(=O)c2cc(-c3ccccn3)ccn2)C1.
What is the InChIKey of N-[(3R)-1-cyanopyrrolidin-3-yl]-4-pyridin-2-ylpyridine-2-carboxamide?
The InChIKey is HPFRCLKDIDSUOB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H15N5O/c17-11-21-8-5-13(10-21)20-16(22)15-9-12(4-7-19-15)14-3-1-2-6-18-14/h1-4,6-7,9,13H,5,8,10H2,(H,20,22)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-cyanopyrrolidin-3-yl]-4-pyridin-2-ylpyridine-2-carboxamide?
N-[(3R)-1-cyanopyrrolidin-3-yl]-4-pyridin-2-ylpyridine-2-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyanopyrrolidin-3-yl]-4-pyridin-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 122590587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).