N-[1-(1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl)propan-2-yl]-N-pyridin-2-ylpropanamide

C19H29N3O — CID 3041495

IUPACN-[1-(1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl)propan-2-yl]-N-pyridin-2-ylpropanamide
SMILESCCC(=O)N(c1ccccn1)C(C)CN1CCC2CCCC2C1
InChIInChI=1S/C19H29N3O/c1-3-19(23)22(18-9-4-5-11-20-18)15(2)13-21-12-10-16-7-6-8-17(16)14-21/h4-5,9,11,15-17H,3,6-8,10,12-14H2,1-2H3
InChIKeyUNYYFPLDFNGOEZ-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.34
Rot. Bonds5

About N-[1-(1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl)propan-2-yl]-N-pyridin-2-ylpropanamide

N-[1-(1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl)propan-2-yl]-N-pyridin-2-ylpropanamide (PubChem CID 3041495) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-[1-(1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl)propan-2-yl]-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[1-(1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl)propan-2-yl]-N-pyridin-2-ylpropanamide
PubChem CID3041495
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-[1-(1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl)propan-2-yl]-N-pyridin-2-ylpropanamide
SMILESCCC(=O)N(c1ccccn1)C(C)CN1CCC2CCCC2C1
InChIInChI=1S/C19H29N3O/c1-3-19(23)22(18-9-4-5-11-20-18)15(2)13-21-12-10-16-7-6-8-17(16)14-21/h4-5,9,11,15-17H,3,6-8,10,12-14H2,1-2H3
InChIKeyUNYYFPLDFNGOEZ-UHFFFAOYSA-N
XLogP3.34
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl)propan-2-yl]-N-pyridin-2-ylpropanamide?
The IUPAC name of N-[1-(1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl)propan-2-yl]-N-pyridin-2-ylpropanamide (CID 3041495) is N-[1-(1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl)propan-2-yl]-N-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[1-(1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl)propan-2-yl]-N-pyridin-2-ylpropanamide?
The canonical SMILES for N-[1-(1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl)propan-2-yl]-N-pyridin-2-ylpropanamide is CCC(=O)N(c1ccccn1)C(C)CN1CCC2CCCC2C1.
What is the InChIKey of N-[1-(1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl)propan-2-yl]-N-pyridin-2-ylpropanamide?
The InChIKey is UNYYFPLDFNGOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-3-19(23)22(18-9-4-5-11-20-18)15(2)13-21-12-10-16-7-6-8-17(16)14-21/h4-5,9,11,15-17H,3,6-8,10,12-14H2,1-2H3.
What are the key properties of N-[1-(1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl)propan-2-yl]-N-pyridin-2-ylpropanamide?
N-[1-(1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl)propan-2-yl]-N-pyridin-2-ylpropanamide has a molecular weight of 315.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl)propan-2-yl]-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 3041495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).