1-cyano-N-[4-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidine-3-carboxamide

C14H14N6O — CID 118980548

IUPAC1-cyano-N-[4-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidine-3-carboxamide
SMILESN#CN1CCC(C(=O)Nc2cc(-c3cn[nH]c3)ccn2)C1
InChIInChI=1S/C14H14N6O/c15-9-20-4-2-11(8-20)14(21)19-13-5-10(1-3-16-13)12-6-17-18-7-12/h1,3,5-7,11H,2,4,8H2,(H,17,18)(H,16,19,21)
InChIKeyVNOHGQXXFUTKOA-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.21
Rot. Bonds3

About 1-cyano-N-[4-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidine-3-carboxamide

1-cyano-N-[4-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidine-3-carboxamide (PubChem CID 118980548) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-cyano-N-[4-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[4-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidine-3-carboxamide
PubChem CID118980548
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name1-cyano-N-[4-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidine-3-carboxamide
SMILESN#CN1CCC(C(=O)Nc2cc(-c3cn[nH]c3)ccn2)C1
InChIInChI=1S/C14H14N6O/c15-9-20-4-2-11(8-20)14(21)19-13-5-10(1-3-16-13)12-6-17-18-7-12/h1,3,5-7,11H,2,4,8H2,(H,17,18)(H,16,19,21)
InChIKeyVNOHGQXXFUTKOA-UHFFFAOYSA-N
XLogP1.21
TPSA97.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-cyano-N-(5-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 118980507
3-[[(3S)-1-cyanopyrrolidine-3-carbonyl]amino]isoquinoline-6-carboxamide
CID 118980660
1-cyano-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 118980441
(3S)-1-cyano-N-[1-(1H-indazol-6-yl)imidazol-4-yl]pyrrolidine-3-carboxamide
CID 118980679
1-cyano-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide
CID 118980499
2-[4-[[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]carbamoyl]piperidin-1-yl]acetic acid
CID 166687833
4-(1H-pyrazol-4-yl)pyridine-2-carboxylic acid
CID 82404796
N-[3-(1H-pyrazol-4-yl)phenyl]cyclopropanecarboxamide
CID 166188841
1-cyano-N-[5-(3-methyl-2H-indazol-5-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 118980994
1-cyano-N-[5-(3-cyanophenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 118980961
1-cyano-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 118981045
N-(1-benzylimidazol-4-yl)-1-cyanopyrrolidine-3-carboxamide
CID 118981254

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[4-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyano-N-[4-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidine-3-carboxamide (CID 118980548) is 1-cyano-N-[4-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyano-N-[4-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyano-N-[4-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidine-3-carboxamide is N#CN1CCC(C(=O)Nc2cc(-c3cn[nH]c3)ccn2)C1.
What is the InChIKey of 1-cyano-N-[4-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidine-3-carboxamide?
The InChIKey is VNOHGQXXFUTKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c15-9-20-4-2-11(8-20)14(21)19-13-5-10(1-3-16-13)12-6-17-18-7-12/h1,3,5-7,11H,2,4,8H2,(H,17,18)(H,16,19,21).
What are the key properties of 1-cyano-N-[4-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidine-3-carboxamide?
1-cyano-N-[4-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidine-3-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[4-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 118980548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).