N'-(4-methyl-3-pyridinyl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxamide

C18H25N3O2 — CID 100838218

IUPACN'-(4-methyl-3-pyridinyl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxamide
SMILESCc1ccncc1NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C18H25N3O2/c1-11-6-8-19-10-13(11)20-15(22)16(23)21-14-9-12-5-7-18(14,4)17(12,2)3/h6,8,10,12,14H,5,7,9H2,1-4H3,(H,20,22)(H,21,23)/t12-,14-,18-/m1/s1
InChIKeyGKFYCMAGUVZINF-RVZJWNSFSA-N
MW315.42 g/mol
LogP2.66
Rot. Bonds2

About N'-(4-methyl-3-pyridinyl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxamide

N'-(4-methyl-3-pyridinyl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxamide (PubChem CID 100838218) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N'-(4-methyl-3-pyridinyl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxamide.

Molecular Properties

Compound NameN'-(4-methyl-3-pyridinyl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxamide
PubChem CID100838218
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN'-(4-methyl-3-pyridinyl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxamide
SMILESCc1ccncc1NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C18H25N3O2/c1-11-6-8-19-10-13(11)20-15(22)16(23)21-14-9-12-5-7-18(14,4)17(12,2)3/h6,8,10,12,14H,5,7,9H2,1-4H3,(H,20,22)(H,21,23)/t12-,14-,18-/m1/s1
InChIKeyGKFYCMAGUVZINF-RVZJWNSFSA-N
XLogP2.66
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-methyl-3-pyridinyl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxamide?
The IUPAC name of N'-(4-methyl-3-pyridinyl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxamide (CID 100838218) is N'-(4-methyl-3-pyridinyl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxamide.
What is the SMILES notation for N'-(4-methyl-3-pyridinyl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxamide?
The canonical SMILES for N'-(4-methyl-3-pyridinyl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxamide is Cc1ccncc1NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C.
What is the InChIKey of N'-(4-methyl-3-pyridinyl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxamide?
The InChIKey is GKFYCMAGUVZINF-RVZJWNSFSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-11-6-8-19-10-13(11)20-15(22)16(23)21-14-9-12-5-7-18(14,4)17(12,2)3/h6,8,10,12,14H,5,7,9H2,1-4H3,(H,20,22)(H,21,23)/t12-,14-,18-/m1/s1.
What are the key properties of N'-(4-methyl-3-pyridinyl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxamide?
N'-(4-methyl-3-pyridinyl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxamide has a molecular weight of 315.42 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methyl-3-pyridinyl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxamide is sourced from PubChem (CID 100838218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).