N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide

C16H19N3O3 — CID 98231928

IUPACN-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide
SMILESCOc1ncccc1NC(=O)C(=O)NC[C@@H]1C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C16H19N3O3/c1-22-16-13(3-2-6-17-16)19-15(21)14(20)18-9-12-8-10-4-5-11(12)7-10/h2-6,10-12H,7-9H2,1H3,(H,18,20)(H,19,21)/t10-,11-,12-/m0/s1
InChIKeyRZXXONJUARPNCT-SRVKXCTJSA-N
MW301.35 g/mol
LogP1.36
Rot. Bonds4

About N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide

N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide (PubChem CID 98231928) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide.

Molecular Properties

Compound NameN-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide
PubChem CID98231928
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide
SMILESCOc1ncccc1NC(=O)C(=O)NC[C@@H]1C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C16H19N3O3/c1-22-16-13(3-2-6-17-16)19-15(21)14(20)18-9-12-8-10-4-5-11(12)7-10/h2-6,10-12H,7-9H2,1H3,(H,18,20)(H,19,21)/t10-,11-,12-/m0/s1
InChIKeyRZXXONJUARPNCT-SRVKXCTJSA-N
XLogP1.36
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide
CID 125319980
N-[2-[1-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-2-methoxypyridine-3-carboxamide
CID 90680209
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-[4-(1-methylimidazole-2-carbonyl)phenyl]oxamide
CID 98229550
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-[3-(1-methylimidazole-2-carbonyl)phenyl]oxamide
CID 51044200
1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea
CID 47042582
2-hydroxy-N-(2-methoxy-3-pyridinyl)acetamide
CID 126992524
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 98192387
N-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]-N'-(2-methoxy-3-pyridinyl)oxamide
CID 95307617
N-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]-N'-(2-methoxy-3-pyridinyl)oxamide
CID 95307616
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylurea
CID 4610236
1-(2-methoxy-3-pyridinyl)-3-prop-2-ynylurea
CID 47042553
methyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate
CID 60942839

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide?
The IUPAC name of N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide (CID 98231928) is N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide.
What is the SMILES notation for N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide?
The canonical SMILES for N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide is COc1ncccc1NC(=O)C(=O)NC[C@@H]1C[C@H]2C=C[C@H]1C2.
What is the InChIKey of N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide?
The InChIKey is RZXXONJUARPNCT-SRVKXCTJSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-22-16-13(3-2-6-17-16)19-15(21)14(20)18-9-12-8-10-4-5-11(12)7-10/h2-6,10-12H,7-9H2,1H3,(H,18,20)(H,19,21)/t10-,11-,12-/m0/s1.
What are the key properties of N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide?
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide has a molecular weight of 301.35 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide is sourced from PubChem (CID 98231928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).