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

C15H16N6O — CID 122590902

IUPACN-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCn1cc(-c2ccc(C(=O)N[C@@H]3CCN(C#N)C3)nc2)cn1
InChIInChI=1S/C15H16N6O/c1-20-8-12(7-18-20)11-2-3-14(17-6-11)15(22)19-13-4-5-21(9-13)10-16/h2-3,6-8,13H,4-5,9H2,1H3,(H,19,22)/t13-/m1/s1
InChIKeyUKXYUWAVQXPACQ-CYBMUJFWSA-N
MW296.33 g/mol
LogP0.77
Rot. Bonds3

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

N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 122590902) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
PubChem CID122590902
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC NameN-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCn1cc(-c2ccc(C(=O)N[C@@H]3CCN(C#N)C3)nc2)cn1
InChIInChI=1S/C15H16N6O/c1-20-8-12(7-18-20)11-2-3-14(17-6-11)15(22)19-13-4-5-21(9-13)10-16/h2-3,6-8,13H,4-5,9H2,1H3,(H,19,22)/t13-/m1/s1
InChIKeyUKXYUWAVQXPACQ-CYBMUJFWSA-N
XLogP0.77
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.77
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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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (CID 122590902) is N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is Cn1cc(-c2ccc(C(=O)N[C@@H]3CCN(C#N)C3)nc2)cn1.
What is the InChIKey of N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is UKXYUWAVQXPACQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16N6O/c1-20-8-12(7-18-20)11-2-3-14(17-6-11)15(22)19-13-4-5-21(9-13)10-16/h2-3,6-8,13H,4-5,9H2,1H3,(H,19,22)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 0.77, 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-methylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 122590902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).