N-(6-azabicyclo[3.1.1]heptan-2-yl)-N-[2-[4-ethyl-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]anilino]-2-oxoethyl]-2,2-dimethylpropanamide

C28H37N5O3 — CID 146610335

IUPACN-(6-azabicyclo[3.1.1]heptan-2-yl)-N-[2-[4-ethyl-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]anilino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCCc1ccc(NC(=O)CN(C(=O)C(C)(C)C)C2CCC3CC2N3)cc1CC(=O)Nc1ccccn1
InChIInChI=1S/C28H37N5O3/c1-5-18-9-10-20(14-19(18)15-25(34)32-24-8-6-7-13-29-24)31-26(35)17-33(27(36)28(2,3)4)23-12-11-21-16-22(23)30-21/h6-10,13-14,21-23,30H,5,11-12,15-17H2,1-4H3,(H,31,35)(H,29,32,34)
InChIKeySCFGRRGNLYUQFF-UHFFFAOYSA-N
MW491.64 g/mol
LogP3.53
Rot. Bonds8

About N-(6-azabicyclo[3.1.1]heptan-2-yl)-N-[2-[4-ethyl-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]anilino]-2-oxoethyl]-2,2-dimethylpropanamide

N-(6-azabicyclo[3.1.1]heptan-2-yl)-N-[2-[4-ethyl-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]anilino]-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 146610335) has the molecular formula C28H37N5O3 and a molecular weight of 491.64 g/mol. Its IUPAC name is N-(6-azabicyclo[3.1.1]heptan-2-yl)-N-[2-[4-ethyl-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]anilino]-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(6-azabicyclo[3.1.1]heptan-2-yl)-N-[2-[4-ethyl-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]anilino]-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID146610335
Molecular FormulaC28H37N5O3
Molecular Weight491.64 g/mol
Exact Mass491.29
IUPAC NameN-(6-azabicyclo[3.1.1]heptan-2-yl)-N-[2-[4-ethyl-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]anilino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCCc1ccc(NC(=O)CN(C(=O)C(C)(C)C)C2CCC3CC2N3)cc1CC(=O)Nc1ccccn1
InChIInChI=1S/C28H37N5O3/c1-5-18-9-10-20(14-19(18)15-25(34)32-24-8-6-7-13-29-24)31-26(35)17-33(27(36)28(2,3)4)23-12-11-21-16-22(23)30-21/h6-10,13-14,21-23,30H,5,11-12,15-17H2,1-4H3,(H,31,35)(H,29,32,34)
InChIKeySCFGRRGNLYUQFF-UHFFFAOYSA-N
XLogP3.53
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(6-azabicyclo[3.1.1]heptan-2-yl)-N-[2-[4-ethyl-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]anilino]-2-oxoethyl]-2,2-dimethylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(6-azabicyclo[3.1.1]heptan-2-yl)-N-[2-[4-ethyl-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]anilino]-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-(6-azabicyclo[3.1.1]heptan-2-yl)-N-[2-[4-ethyl-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]anilino]-2-oxoethyl]-2,2-dimethylpropanamide (CID 146610335) is N-(6-azabicyclo[3.1.1]heptan-2-yl)-N-[2-[4-ethyl-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]anilino]-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-(6-azabicyclo[3.1.1]heptan-2-yl)-N-[2-[4-ethyl-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]anilino]-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-(6-azabicyclo[3.1.1]heptan-2-yl)-N-[2-[4-ethyl-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]anilino]-2-oxoethyl]-2,2-dimethylpropanamide is CCc1ccc(NC(=O)CN(C(=O)C(C)(C)C)C2CCC3CC2N3)cc1CC(=O)Nc1ccccn1.
What is the InChIKey of N-(6-azabicyclo[3.1.1]heptan-2-yl)-N-[2-[4-ethyl-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]anilino]-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is SCFGRRGNLYUQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O3/c1-5-18-9-10-20(14-19(18)15-25(34)32-24-8-6-7-13-29-24)31-26(35)17-33(27(36)28(2,3)4)23-12-11-21-16-22(23)30-21/h6-10,13-14,21-23,30H,5,11-12,15-17H2,1-4H3,(H,31,35)(H,29,32,34).
What are the key properties of N-(6-azabicyclo[3.1.1]heptan-2-yl)-N-[2-[4-ethyl-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]anilino]-2-oxoethyl]-2,2-dimethylpropanamide?
N-(6-azabicyclo[3.1.1]heptan-2-yl)-N-[2-[4-ethyl-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]anilino]-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 491.64 g/mol, XLogP of 3.53, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-azabicyclo[3.1.1]heptan-2-yl)-N-[2-[4-ethyl-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]anilino]-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 146610335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).