[6-[(4-ethylcyclohexyl)-methylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone

C19H29N3O — CID 177347728

IUPAC[6-[(4-ethylcyclohexyl)-methylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCCC1CCC(N(C)c2cccc(C(=O)N3CCCC3)n2)CC1
InChIInChI=1S/C19H29N3O/c1-3-15-9-11-16(12-10-15)21(2)18-8-6-7-17(20-18)19(23)22-13-4-5-14-22/h6-8,15-16H,3-5,9-14H2,1-2H3
InChIKeyVBPUWANPLKIRLZ-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.72
Rot. Bonds4

About [6-[(4-ethylcyclohexyl)-methylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone

[6-[(4-ethylcyclohexyl)-methylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 177347728) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is [6-[(4-ethylcyclohexyl)-methylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[(4-ethylcyclohexyl)-methylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID177347728
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name[6-[(4-ethylcyclohexyl)-methylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCCC1CCC(N(C)c2cccc(C(=O)N3CCCC3)n2)CC1
InChIInChI=1S/C19H29N3O/c1-3-15-9-11-16(12-10-15)21(2)18-8-6-7-17(20-18)19(23)22-13-4-5-14-22/h6-8,15-16H,3-5,9-14H2,1-2H3
InChIKeyVBPUWANPLKIRLZ-UHFFFAOYSA-N
XLogP3.72
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-[(4-ethylcyclohexyl)-methylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[(4-ethylcyclohexyl)-methylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone (CID 177347728) is [6-[(4-ethylcyclohexyl)-methylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[(4-ethylcyclohexyl)-methylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[(4-ethylcyclohexyl)-methylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone is CCC1CCC(N(C)c2cccc(C(=O)N3CCCC3)n2)CC1.
What is the InChIKey of [6-[(4-ethylcyclohexyl)-methylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is VBPUWANPLKIRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-3-15-9-11-16(12-10-15)21(2)18-8-6-7-17(20-18)19(23)22-13-4-5-14-22/h6-8,15-16H,3-5,9-14H2,1-2H3.
What are the key properties of [6-[(4-ethylcyclohexyl)-methylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
[6-[(4-ethylcyclohexyl)-methylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 315.46 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-ethylcyclohexyl)-methylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 177347728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).