2-methyl-6-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbonitrile

C17H19N5O — CID 95605633

IUPAC2-methyl-6-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbonitrile
SMILESCc1cnn(C[C@H]2CCCN2C(=O)c2ccc(C#N)c(C)n2)c1
InChIInChI=1S/C17H19N5O/c1-12-9-19-21(10-12)11-15-4-3-7-22(15)17(23)16-6-5-14(8-18)13(2)20-16/h5-6,9-10,15H,3-4,7,11H2,1-2H3/t15-/m1/s1
InChIKeyAUZINSXBTOJOET-OAHLLOKOSA-N
MW309.37 g/mol
LogP2.07
Rot. Bonds3

About 2-methyl-6-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbonitrile

2-methyl-6-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbonitrile (PubChem CID 95605633) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-methyl-6-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbonitrile
PubChem CID95605633
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-methyl-6-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbonitrile
SMILESCc1cnn(C[C@H]2CCCN2C(=O)c2ccc(C#N)c(C)n2)c1
InChIInChI=1S/C17H19N5O/c1-12-9-19-21(10-12)11-15-4-3-7-22(15)17(23)16-6-5-14(8-18)13(2)20-16/h5-6,9-10,15H,3-4,7,11H2,1-2H3/t15-/m1/s1
InChIKeyAUZINSXBTOJOET-OAHLLOKOSA-N
XLogP2.07
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile
CID 97210921
2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carbonitrile
CID 95603426
6-[2-(hydroxymethyl)azepane-1-carbonyl]-2-methylpyridine-3-carbonitrile
CID 116636076
imidazo[1,2-a]pyridin-2-yl-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95604014
[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56779357
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95604019
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95350732
[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56779403
2-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile
CID 56779474
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95603369
2H-benzotriazol-5-yl-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95349539
N-methyl-5-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide
CID 95603465

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbonitrile?
The IUPAC name of 2-methyl-6-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbonitrile (CID 95605633) is 2-methyl-6-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-methyl-6-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-methyl-6-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbonitrile is Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc(C#N)c(C)n2)c1.
What is the InChIKey of 2-methyl-6-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbonitrile?
The InChIKey is AUZINSXBTOJOET-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19N5O/c1-12-9-19-21(10-12)11-15-4-3-7-22(15)17(23)16-6-5-14(8-18)13(2)20-16/h5-6,9-10,15H,3-4,7,11H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-methyl-6-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbonitrile?
2-methyl-6-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbonitrile has a molecular weight of 309.37 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbonitrile is sourced from PubChem (CID 95605633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).