N'-(3-pyridin-2-yloxyphenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]oxamide

C20H19N5O3 — CID 124604068

IUPACN'-(3-pyridin-2-yloxyphenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]oxamide
SMILESO=C(Nc1cccc(Oc2ccccn2)c1)C(=O)N[C@H]1CCc2[nH]ncc2C1
InChIInChI=1S/C20H19N5O3/c26-19(20(27)24-15-7-8-17-13(10-15)12-22-25-17)23-14-4-3-5-16(11-14)28-18-6-1-2-9-21-18/h1-6,9,11-12,15H,7-8,10H2,(H,22,25)(H,23,26)(H,24,27)/t15-/m0/s1
InChIKeyBPFLMOZWLLNCKU-HNNXBMFYSA-N
MW377.40 g/mol
LogP2.21
Rot. Bonds4

About N'-(3-pyridin-2-yloxyphenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]oxamide

N'-(3-pyridin-2-yloxyphenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]oxamide (PubChem CID 124604068) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is N'-(3-pyridin-2-yloxyphenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]oxamide.

Molecular Properties

Compound NameN'-(3-pyridin-2-yloxyphenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]oxamide
PubChem CID124604068
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC NameN'-(3-pyridin-2-yloxyphenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]oxamide
SMILESO=C(Nc1cccc(Oc2ccccn2)c1)C(=O)N[C@H]1CCc2[nH]ncc2C1
InChIInChI=1S/C20H19N5O3/c26-19(20(27)24-15-7-8-17-13(10-15)12-22-25-17)23-14-4-3-5-16(11-14)28-18-6-1-2-9-21-18/h1-6,9,11-12,15H,7-8,10H2,(H,22,25)(H,23,26)(H,24,27)/t15-/m0/s1
InChIKeyBPFLMOZWLLNCKU-HNNXBMFYSA-N
XLogP2.21
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-3-pyridin-2-yloxybenzamide
CID 90596546
N'-[4-(4-methylphenoxy)phenyl]-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide
CID 124738271
1-[(3R)-2-oxoazepan-3-yl]-3-(3-pyridin-2-yloxyphenyl)urea
CID 124608069
N-(3-pyridin-2-yloxyphenyl)morpholine-3-carboxamide
CID 119884828
N-[3-[(1R)-1-[[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino]ethyl]phenyl]acetamide
CID 97103418
3-[(3-pyridin-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120550074
5-(3-methoxyphenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1H-pyrazole-4-carboxamide
CID 97117950
3-amino-N-(3-pyridin-2-yloxyphenyl)cyclohexane-1-carboxamide
CID 119884838
3-amino-N-(3-pyridin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119884835
3-(2-fluorophenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1H-pyrazole-5-carboxamide
CID 97149757
2-hydroxy-2-phenyl-N-(3-pyridin-2-yloxyphenyl)acetamide
CID 111540805
N-cyclopentyl-N'-(3-methoxyphenyl)oxamide
CID 7541556

Frequently Asked Questions

What is the IUPAC name of N'-(3-pyridin-2-yloxyphenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]oxamide?
The IUPAC name of N'-(3-pyridin-2-yloxyphenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]oxamide (CID 124604068) is N'-(3-pyridin-2-yloxyphenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]oxamide.
What is the SMILES notation for N'-(3-pyridin-2-yloxyphenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]oxamide?
The canonical SMILES for N'-(3-pyridin-2-yloxyphenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]oxamide is O=C(Nc1cccc(Oc2ccccn2)c1)C(=O)N[C@H]1CCc2[nH]ncc2C1.
What is the InChIKey of N'-(3-pyridin-2-yloxyphenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]oxamide?
The InChIKey is BPFLMOZWLLNCKU-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19N5O3/c26-19(20(27)24-15-7-8-17-13(10-15)12-22-25-17)23-14-4-3-5-16(11-14)28-18-6-1-2-9-21-18/h1-6,9,11-12,15H,7-8,10H2,(H,22,25)(H,23,26)(H,24,27)/t15-/m0/s1.
What are the key properties of N'-(3-pyridin-2-yloxyphenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]oxamide?
N'-(3-pyridin-2-yloxyphenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]oxamide has a molecular weight of 377.40 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-pyridin-2-yloxyphenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]oxamide is sourced from PubChem (CID 124604068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).