N-[(1R,2R,9R)-4,12-dimethyl-1-tetracyclo[7.3.1.02,7.06,11]tridecanyl]-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide

C23H33N3O2 — CID 166454995

IUPACN-[(1R,2R,9R)-4,12-dimethyl-1-tetracyclo[7.3.1.02,7.06,11]tridecanyl]-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide
SMILESCNc1cccn(CC(=O)N[C@@]23C[C@@H]4CC(C5CC(C)C[C@@H]2C5C4)C3C)c1=O
InChIInChI=1S/C23H33N3O2/c1-13-7-17-16-9-15-10-18(17)19(8-13)23(11-15,14(16)2)25-21(27)12-26-6-4-5-20(24-3)22(26)28/h4-6,13-19,24H,7-12H2,1-3H3,(H,25,27)/t13?,14?,15-,16?,17?,18?,19-,23-/m1/s1
InChIKeyRPOQDWFSCGUVKL-LAIDZJPTSA-N
MW383.54 g/mol
LogP3.10
Rot. Bonds4

About N-[(1R,2R,9R)-4,12-dimethyl-1-tetracyclo[7.3.1.02,7.06,11]tridecanyl]-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide

N-[(1R,2R,9R)-4,12-dimethyl-1-tetracyclo[7.3.1.02,7.06,11]tridecanyl]-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide (PubChem CID 166454995) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-[(1R,2R,9R)-4,12-dimethyl-1-tetracyclo[7.3.1.02,7.06,11]tridecanyl]-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R,9R)-4,12-dimethyl-1-tetracyclo[7.3.1.02,7.06,11]tridecanyl]-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide
PubChem CID166454995
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC NameN-[(1R,2R,9R)-4,12-dimethyl-1-tetracyclo[7.3.1.02,7.06,11]tridecanyl]-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide
SMILESCNc1cccn(CC(=O)N[C@@]23C[C@@H]4CC(C5CC(C)C[C@@H]2C5C4)C3C)c1=O
InChIInChI=1S/C23H33N3O2/c1-13-7-17-16-9-15-10-18(17)19(8-13)23(11-15,14(16)2)25-21(27)12-26-6-4-5-20(24-3)22(26)28/h4-6,13-19,24H,7-12H2,1-3H3,(H,25,27)/t13?,14?,15-,16?,17?,18?,19-,23-/m1/s1
InChIKeyRPOQDWFSCGUVKL-LAIDZJPTSA-N
XLogP3.10
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2R,9R)-4,12-dimethyl-1-tetracyclo[7.3.1.02,7.06,11]tridecanyl]-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,9R)-4,12-dimethyl-1-tetracyclo[7.3.1.02,7.06,11]tridecanyl]-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-[(1R,2R,9R)-4,12-dimethyl-1-tetracyclo[7.3.1.02,7.06,11]tridecanyl]-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide (CID 166454995) is N-[(1R,2R,9R)-4,12-dimethyl-1-tetracyclo[7.3.1.02,7.06,11]tridecanyl]-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(1R,2R,9R)-4,12-dimethyl-1-tetracyclo[7.3.1.02,7.06,11]tridecanyl]-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-[(1R,2R,9R)-4,12-dimethyl-1-tetracyclo[7.3.1.02,7.06,11]tridecanyl]-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide is CNc1cccn(CC(=O)N[C@@]23C[C@@H]4CC(C5CC(C)C[C@@H]2C5C4)C3C)c1=O.
What is the InChIKey of N-[(1R,2R,9R)-4,12-dimethyl-1-tetracyclo[7.3.1.02,7.06,11]tridecanyl]-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide?
The InChIKey is RPOQDWFSCGUVKL-LAIDZJPTSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-13-7-17-16-9-15-10-18(17)19(8-13)23(11-15,14(16)2)25-21(27)12-26-6-4-5-20(24-3)22(26)28/h4-6,13-19,24H,7-12H2,1-3H3,(H,25,27)/t13?,14?,15-,16?,17?,18?,19-,23-/m1/s1.
What are the key properties of N-[(1R,2R,9R)-4,12-dimethyl-1-tetracyclo[7.3.1.02,7.06,11]tridecanyl]-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide?
N-[(1R,2R,9R)-4,12-dimethyl-1-tetracyclo[7.3.1.02,7.06,11]tridecanyl]-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide has a molecular weight of 383.54 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,9R)-4,12-dimethyl-1-tetracyclo[7.3.1.02,7.06,11]tridecanyl]-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 166454995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).