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

C18H25N5O2 — CID 110133329

IUPACN-[(3R,4R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide
SMILESCCn1nc(C)c(CN2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)c1C
InChIInChI=1S/C18H25N5O2/c1-4-23-13(3)14(12(2)21-23)9-22-10-16(17(24)11-22)20-18(25)15-7-5-6-8-19-15/h5-8,16-17,24H,4,9-11H2,1-3H3,(H,20,25)/t16-,17-/m1/s1
InChIKeyGWLCDVLEOOFRIG-IAGOWNOFSA-N
MW343.43 g/mol
LogP0.89
Rot. Bonds5

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

N-[(3R,4R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide (PubChem CID 110133329) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(3R,4R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide
PubChem CID110133329
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[(3R,4R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide
SMILESCCn1nc(C)c(CN2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)c1C
InChIInChI=1S/C18H25N5O2/c1-4-23-13(3)14(12(2)21-23)9-22-10-16(17(24)11-22)20-18(25)15-7-5-6-8-19-15/h5-8,16-17,24H,4,9-11H2,1-3H3,(H,20,25)/t16-,17-/m1/s1
InChIKeyGWLCDVLEOOFRIG-IAGOWNOFSA-N
XLogP0.89
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(3R,4R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide (CID 110133329) is N-[(3R,4R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R,4R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(3R,4R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide is CCn1nc(C)c(CN2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)c1C.
What is the InChIKey of N-[(3R,4R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide?
The InChIKey is GWLCDVLEOOFRIG-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-4-23-13(3)14(12(2)21-23)9-22-10-16(17(24)11-22)20-18(25)15-7-5-6-8-19-15/h5-8,16-17,24H,4,9-11H2,1-3H3,(H,20,25)/t16-,17-/m1/s1.
What are the key properties of N-[(3R,4R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide?
N-[(3R,4R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 110133329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).