N-[5-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide

C19H19N5O2 — CID 155597466

IUPACN-[5-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide
SMILESCNC(=O)Cn1cc(-c2ccc(NC(=O)Cc3ccccc3)nc2)cn1
InChIInChI=1S/C19H19N5O2/c1-20-19(26)13-24-12-16(11-22-24)15-7-8-17(21-10-15)23-18(25)9-14-5-3-2-4-6-14/h2-8,10-12H,9,13H2,1H3,(H,20,26)(H,21,23,25)
InChIKeyJYGITFBSOSASOO-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.87
Rot. Bonds6

About N-[5-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide

N-[5-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide (PubChem CID 155597466) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[5-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide
PubChem CID155597466
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-[5-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide
SMILESCNC(=O)Cn1cc(-c2ccc(NC(=O)Cc3ccccc3)nc2)cn1
InChIInChI=1S/C19H19N5O2/c1-20-19(26)13-24-12-16(11-22-24)15-7-8-17(21-10-15)23-18(25)9-14-5-3-2-4-6-14/h2-8,10-12H,9,13H2,1H3,(H,20,26)(H,21,23,25)
InChIKeyJYGITFBSOSASOO-UHFFFAOYSA-N
XLogP1.87
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide?
The IUPAC name of N-[5-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide (CID 155597466) is N-[5-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for N-[5-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide?
The canonical SMILES for N-[5-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide is CNC(=O)Cn1cc(-c2ccc(NC(=O)Cc3ccccc3)nc2)cn1.
What is the InChIKey of N-[5-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide?
The InChIKey is JYGITFBSOSASOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-20-19(26)13-24-12-16(11-22-24)15-7-8-17(21-10-15)23-18(25)9-14-5-3-2-4-6-14/h2-8,10-12H,9,13H2,1H3,(H,20,26)(H,21,23,25).
What are the key properties of N-[5-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide?
N-[5-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide has a molecular weight of 349.39 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 155597466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).