N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

C17H25N3O — CID 102893379

IUPACN-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCCN(Cc1cccc(C)n1)C(=O)C1NCC2CCCC21
InChIInChI=1S/C17H25N3O/c1-3-20(11-14-8-4-6-12(2)19-14)17(21)16-15-9-5-7-13(15)10-18-16/h4,6,8,13,15-16,18H,3,5,7,9-11H2,1-2H3
InChIKeyPYZGFDOYHPRWEQ-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.13
Rot. Bonds4

About N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (PubChem CID 102893379) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
PubChem CID102893379
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCCN(Cc1cccc(C)n1)C(=O)C1NCC2CCCC21
InChIInChI=1S/C17H25N3O/c1-3-20(11-14-8-4-6-12(2)19-14)17(21)16-15-9-5-7-13(15)10-18-16/h4,6,8,13,15-16,18H,3,5,7,9-11H2,1-2H3
InChIKeyPYZGFDOYHPRWEQ-UHFFFAOYSA-N
XLogP2.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide with MolForge

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Related Compounds

N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891587
2-(azetidin-3-ylidene)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 116678469
N-[(2-hydroxyphenyl)methyl]-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891896
N-ethyl-2-fluoro-6-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 104918138
1-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81155694
6-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 103890041
(2R)-2-amino-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pentanamide
CID 113267614
1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]-3-propan-2-ylthiourea
CID 113254044
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 23402951
3-amino-N-ethyl-2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 114145142
1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 115686651
ethane;N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 143432699

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (CID 102893379) is N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is CCN(Cc1cccc(C)n1)C(=O)C1NCC2CCCC21.
What is the InChIKey of N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is PYZGFDOYHPRWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-20(11-14-8-4-6-12(2)19-14)17(21)16-15-9-5-7-13(15)10-18-16/h4,6,8,13,15-16,18H,3,5,7,9-11H2,1-2H3.
What are the key properties of N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 102893379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).