N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide

C21H23N5O3 — CID 25488160

IUPACN-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C21H23N5O3/c1-25(21(28)20-17-4-2-3-5-18(17)23-24-20)14-19(27)22-15-6-8-16(9-7-15)26-10-12-29-13-11-26/h2-9H,10-14H2,1H3,(H,22,27)(H,23,24)
InChIKeyOHEIAKJZLHZEGS-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.11
Rot. Bonds5

About N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide

N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide (PubChem CID 25488160) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide
PubChem CID25488160
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC NameN-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C21H23N5O3/c1-25(21(28)20-17-4-2-3-5-18(17)23-24-20)14-19(27)22-15-6-8-16(9-7-15)26-10-12-29-13-11-26/h2-9H,10-14H2,1H3,(H,22,27)(H,23,24)
InChIKeyOHEIAKJZLHZEGS-UHFFFAOYSA-N
XLogP2.11
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide
CID 27801844
2-hydroxy-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 51143460
N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1H-indazole-3-carboxamide
CID 9070389
5-ethyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-pyrazole-3-carboxamide
CID 78861625
N-[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 71944686
N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 7551211
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide
CID 9144063
1-(4-fluorophenyl)-N,3,5-trimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 55380653
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-(propanoylamino)benzamide
CID 55833793
2-[[1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55411340
N-methyl-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide
CID 64982701

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide (CID 25488160) is N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide is CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide?
The InChIKey is OHEIAKJZLHZEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-25(21(28)20-17-4-2-3-5-18(17)23-24-20)14-19(27)22-15-6-8-16(9-7-15)26-10-12-29-13-11-26/h2-9H,10-14H2,1H3,(H,22,27)(H,23,24).
What are the key properties of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide?
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 25488160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).