N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide

C17H21N5O3 — CID 124615530

IUPACN-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cc(=O)[nH]1
InChIInChI=1S/C17H21N5O3/c1-10(2)14-6-11(7-15(23)19-14)16(24)20-13-4-5-22(17(13)25)12-8-18-21(3)9-12/h6-10,13H,4-5H2,1-3H3,(H,19,23)(H,20,24)/t13-/m1/s1
InChIKeyWEXKNYUDRUQBRB-CYBMUJFWSA-N
MW343.39 g/mol
LogP0.77
Rot. Bonds4

About N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide

N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide (PubChem CID 124615530) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide
PubChem CID124615530
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC NameN-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cc(=O)[nH]1
InChIInChI=1S/C17H21N5O3/c1-10(2)14-6-11(7-15(23)19-14)16(24)20-13-4-5-22(17(13)25)12-8-18-21(3)9-12/h6-10,13H,4-5H2,1-3H3,(H,19,23)(H,20,24)/t13-/m1/s1
InChIKeyWEXKNYUDRUQBRB-CYBMUJFWSA-N
XLogP0.77
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide?
The IUPAC name of N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide (CID 124615530) is N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide is CC(C)c1cc(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cc(=O)[nH]1.
What is the InChIKey of N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide?
The InChIKey is WEXKNYUDRUQBRB-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-10(2)14-6-11(7-15(23)19-14)16(24)20-13-4-5-22(17(13)25)12-8-18-21(3)9-12/h6-10,13H,4-5H2,1-3H3,(H,19,23)(H,20,24)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide?
N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide is sourced from PubChem (CID 124615530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).