N-ethyl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxamide

C21H34N4O2 — CID 69353918

IUPACN-ethyl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxamide
SMILESCCNC(=O)c1ccc(N2CCC(OC3CCN(C(C)C)CC3)CC2)cn1
InChIInChI=1S/C21H34N4O2/c1-4-22-21(26)20-6-5-17(15-23-20)25-13-9-19(10-14-25)27-18-7-11-24(12-8-18)16(2)3/h5-6,15-16,18-19H,4,7-14H2,1-3H3,(H,22,26)
InChIKeyGGEHLEBWIWSBGV-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.69
Rot. Bonds6

About N-ethyl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxamide

N-ethyl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxamide (PubChem CID 69353918) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-ethyl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxamide
PubChem CID69353918
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC NameN-ethyl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxamide
SMILESCCNC(=O)c1ccc(N2CCC(OC3CCN(C(C)C)CC3)CC2)cn1
InChIInChI=1S/C21H34N4O2/c1-4-22-21(26)20-6-5-17(15-23-20)25-13-9-19(10-14-25)27-18-7-11-24(12-8-18)16(2)3/h5-6,15-16,18-19H,4,7-14H2,1-3H3,(H,22,26)
InChIKeyGGEHLEBWIWSBGV-UHFFFAOYSA-N
XLogP2.69
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-ethyl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxamide (CID 69353918) is N-ethyl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxamide is CCNC(=O)c1ccc(N2CCC(OC3CCN(C(C)C)CC3)CC2)cn1.
What is the InChIKey of N-ethyl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxamide?
The InChIKey is GGEHLEBWIWSBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-4-22-21(26)20-6-5-17(15-23-20)25-13-9-19(10-14-25)27-18-7-11-24(12-8-18)16(2)3/h5-6,15-16,18-19H,4,7-14H2,1-3H3,(H,22,26).
What are the key properties of N-ethyl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxamide?
N-ethyl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 69353918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).