N-(5-methyl-2-pyridinyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide

C20H21N5O3 — CID 46378664

IUPACN-(5-methyl-2-pyridinyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2nc(C(=O)N3CCOCC3)c3ccccc32)nc1
InChIInChI=1S/C20H21N5O3/c1-14-6-7-17(21-12-14)22-18(26)13-25-16-5-3-2-4-15(16)19(23-25)20(27)24-8-10-28-11-9-24/h2-7,12H,8-11,13H2,1H3,(H,21,22,26)
InChIKeyJXRQGJYZYWCEOA-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.85
Rot. Bonds4

About N-(5-methyl-2-pyridinyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide

N-(5-methyl-2-pyridinyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide (PubChem CID 46378664) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide
PubChem CID46378664
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-(5-methyl-2-pyridinyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2nc(C(=O)N3CCOCC3)c3ccccc32)nc1
InChIInChI=1S/C20H21N5O3/c1-14-6-7-17(21-12-14)22-18(26)13-25-16-5-3-2-4-15(16)19(23-25)20(27)24-8-10-28-11-9-24/h2-7,12H,8-11,13H2,1H3,(H,21,22,26)
InChIKeyJXRQGJYZYWCEOA-UHFFFAOYSA-N
XLogP1.85
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide (CID 46378664) is N-(5-methyl-2-pyridinyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide is Cc1ccc(NC(=O)Cn2nc(C(=O)N3CCOCC3)c3ccccc32)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide?
The InChIKey is JXRQGJYZYWCEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-14-6-7-17(21-12-14)22-18(26)13-25-16-5-3-2-4-15(16)19(23-25)20(27)24-8-10-28-11-9-24/h2-7,12H,8-11,13H2,1H3,(H,21,22,26).
What are the key properties of N-(5-methyl-2-pyridinyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide?
N-(5-methyl-2-pyridinyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide has a molecular weight of 379.42 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide is sourced from PubChem (CID 46378664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).