N-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide

C23H27N3O2 — CID 167670705

IUPACN-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(C23CC(C(=O)CCc4ccc(N)nc4)(C2)C3)cc1
InChIInChI=1S/C23H27N3O2/c1-3-21(28)26(2)18-8-6-17(7-9-18)22-13-23(14-22,15-22)19(27)10-4-16-5-11-20(24)25-12-16/h5-9,11-12H,3-4,10,13-15H2,1-2H3,(H2,24,25)
InChIKeyAKBBMGYUYVWGCN-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.66
Rot. Bonds7

About N-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide

N-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide (PubChem CID 167670705) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide
PubChem CID167670705
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(C23CC(C(=O)CCc4ccc(N)nc4)(C2)C3)cc1
InChIInChI=1S/C23H27N3O2/c1-3-21(28)26(2)18-8-6-17(7-9-18)22-13-23(14-22,15-22)19(27)10-4-16-5-11-20(24)25-12-16/h5-9,11-12H,3-4,10,13-15H2,1-2H3,(H2,24,25)
InChIKeyAKBBMGYUYVWGCN-UHFFFAOYSA-N
XLogP3.66
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide?
The IUPAC name of N-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide (CID 167670705) is N-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide?
The canonical SMILES for N-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(C23CC(C(=O)CCc4ccc(N)nc4)(C2)C3)cc1.
What is the InChIKey of N-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide?
The InChIKey is AKBBMGYUYVWGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-3-21(28)26(2)18-8-6-17(7-9-18)22-13-23(14-22,15-22)19(27)10-4-16-5-11-20(24)25-12-16/h5-9,11-12H,3-4,10,13-15H2,1-2H3,(H2,24,25).
What are the key properties of N-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide?
N-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide has a molecular weight of 377.49 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 167670705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).