N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide

C20H19N5O2 — CID 97009575

IUPACN-[(1R)-2,3-dihydro-1H-inden-1-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide
SMILESCn1nc(-c2ccncc2)cc1NC(=O)C(=O)N[C@@H]1CCc2ccccc21
InChIInChI=1S/C20H19N5O2/c1-25-18(12-17(24-25)14-8-10-21-11-9-14)23-20(27)19(26)22-16-7-6-13-4-2-3-5-15(13)16/h2-5,8-12,16H,6-7H2,1H3,(H,22,26)(H,23,27)/t16-/m1/s1
InChIKeyGDSOEYLYOAYIKJ-MRXNPFEDSA-N
MW361.41 g/mol
LogP2.22
Rot. Bonds3

About N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide (PubChem CID 97009575) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide.

Molecular Properties

Compound NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide
PubChem CID97009575
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide
SMILESCn1nc(-c2ccncc2)cc1NC(=O)C(=O)N[C@@H]1CCc2ccccc21
InChIInChI=1S/C20H19N5O2/c1-25-18(12-17(24-25)14-8-10-21-11-9-14)23-20(27)19(26)22-16-7-6-13-4-2-3-5-15(13)16/h2-5,8-12,16H,6-7H2,1H3,(H,22,26)(H,23,27)/t16-/m1/s1
InChIKeyGDSOEYLYOAYIKJ-MRXNPFEDSA-N
XLogP2.22
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide
CID 97017746
methyl N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)carbamate
CID 134799813
N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)butanamide
CID 134798763
(3R)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)piperidine-3-carboxamide
CID 138001539
5-(cyclopentanecarbonylamino)-1-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-3-carboxamide
CID 75767261
5-(cyclohexanecarbonylamino)-1-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-3-carboxamide
CID 75767268
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 24895519
1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 11079289
N-(2,3-dihydro-1H-inden-1-yl)-3-(2-ethylimidazol-1-yl)propanamide
CID 131896789
N-(2,3-dihydro-1H-inden-1-yl)-3-fluoropyridine-4-carboxamide
CID 115645626
2-imidazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 17491802
2-pyridin-4-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-5-carboxamide
CID 97199538

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide?
The IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide (CID 97009575) is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide.
What is the SMILES notation for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide?
The canonical SMILES for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide is Cn1nc(-c2ccncc2)cc1NC(=O)C(=O)N[C@@H]1CCc2ccccc21.
What is the InChIKey of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide?
The InChIKey is GDSOEYLYOAYIKJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-25-18(12-17(24-25)14-8-10-21-11-9-14)23-20(27)19(26)22-16-7-6-13-4-2-3-5-15(13)16/h2-5,8-12,16H,6-7H2,1H3,(H,22,26)(H,23,27)/t16-/m1/s1.
What are the key properties of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide?
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide has a molecular weight of 361.41 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide is sourced from PubChem (CID 97009575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).