N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide

C16H18N6O — CID 122590853

IUPACN-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCc1nn(C)cc1-c1ccc(C(=O)N[C@@H]2CCN(C#N)C2)nc1
InChIInChI=1S/C16H18N6O/c1-11-14(9-21(2)20-11)12-3-4-15(18-7-12)16(23)19-13-5-6-22(8-13)10-17/h3-4,7,9,13H,5-6,8H2,1-2H3,(H,19,23)/t13-/m1/s1
InChIKeyLFGKFGRTXYUMGM-CYBMUJFWSA-N
MW310.36 g/mol
LogP1.08
Rot. Bonds3

About N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide

N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 122590853) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide
PubChem CID122590853
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC NameN-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCc1nn(C)cc1-c1ccc(C(=O)N[C@@H]2CCN(C#N)C2)nc1
InChIInChI=1S/C16H18N6O/c1-11-14(9-21(2)20-11)12-3-4-15(18-7-12)16(23)19-13-5-6-22(8-13)10-17/h3-4,7,9,13H,5-6,8H2,1-2H3,(H,19,23)/t13-/m1/s1
InChIKeyLFGKFGRTXYUMGM-CYBMUJFWSA-N
XLogP1.08
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-((E,2E)-2-Methyl-3-phenyl-2-propenylidene)-3-(1-methyl-1H-pyrrol-2-YL)-1H-pyrazole-5-carbohydrazide
CID 6869472
5-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-isoindol-1-one
CID 25093327
2-(pyridin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 25190898
N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 73442848
US10022354, Example 5
CID 121279569
N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 1473242
US10022354, Example 2
CID 95834606
US10022354, Example 1
CID 95834607
US10022354, Example 78
CID 110264830
N-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660644
US10022354, Example 46
CID 121279427
US10022354, Example 47
CID 121279428

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide (CID 122590853) is N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide is Cc1nn(C)cc1-c1ccc(C(=O)N[C@@H]2CCN(C#N)C2)nc1.
What is the InChIKey of N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is LFGKFGRTXYUMGM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18N6O/c1-11-14(9-21(2)20-11)12-3-4-15(18-7-12)16(23)19-13-5-6-22(8-13)10-17/h3-4,7,9,13H,5-6,8H2,1-2H3,(H,19,23)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide?
N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 122590853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).