N-[[(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methyl]acetamide

C23H27N5O2 — CID 135355495

IUPACN-[[(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CCN(c2cc(=O)n(C)cc2-c2cnn(Cc3ccccc3)c2)C1
InChIInChI=1S/C23H27N5O2/c1-17(29)24-11-19-8-9-27(13-19)22-10-23(30)26(2)16-21(22)20-12-25-28(15-20)14-18-6-4-3-5-7-18/h3-7,10,12,15-16,19H,8-9,11,13-14H2,1-2H3,(H,24,29)/t19-/m0/s1
InChIKeyPFGWLUNKVJVTPJ-IBGZPJMESA-N
MW405.50 g/mol
LogP2.26
Rot. Bonds6

About N-[[(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methyl]acetamide

N-[[(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methyl]acetamide (PubChem CID 135355495) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[[(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methyl]acetamide
PubChem CID135355495
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-[[(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CCN(c2cc(=O)n(C)cc2-c2cnn(Cc3ccccc3)c2)C1
InChIInChI=1S/C23H27N5O2/c1-17(29)24-11-19-8-9-27(13-19)22-10-23(30)26(2)16-21(22)20-12-25-28(15-20)14-18-6-4-3-5-7-18/h3-7,10,12,15-16,19H,8-9,11,13-14H2,1-2H3,(H,24,29)/t19-/m0/s1
InChIKeyPFGWLUNKVJVTPJ-IBGZPJMESA-N
XLogP2.26
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methyl]acetamide (CID 135355495) is N-[[(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methyl]acetamide is CC(=O)NC[C@@H]1CCN(c2cc(=O)n(C)cc2-c2cnn(Cc3ccccc3)c2)C1.
What is the InChIKey of N-[[(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is PFGWLUNKVJVTPJ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H27N5O2/c1-17(29)24-11-19-8-9-27(13-19)22-10-23(30)26(2)16-21(22)20-12-25-28(15-20)14-18-6-4-3-5-7-18/h3-7,10,12,15-16,19H,8-9,11,13-14H2,1-2H3,(H,24,29)/t19-/m0/s1.
What are the key properties of N-[[(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methyl]acetamide?
N-[[(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 405.50 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 135355495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).