N-cyclopropyl-6-[3-[(3-ethylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide

C23H29N3O2 — CID 44526663

IUPACN-cyclopropyl-6-[3-[(3-ethylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCCc1cccc(OCC2CCCN(c3ccc(C(=O)NC4CC4)cn3)C2)c1
InChIInChI=1S/C23H29N3O2/c1-2-17-5-3-7-21(13-17)28-16-18-6-4-12-26(15-18)22-11-8-19(14-24-22)23(27)25-20-9-10-20/h3,5,7-8,11,13-14,18,20H,2,4,6,9-10,12,15-16H2,1H3,(H,25,27)
InChIKeySXLQLCYXNDHRSG-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.83
Rot. Bonds7

About N-cyclopropyl-6-[3-[(3-ethylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide

N-cyclopropyl-6-[3-[(3-ethylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 44526663) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-cyclopropyl-6-[3-[(3-ethylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[3-[(3-ethylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide
PubChem CID44526663
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-cyclopropyl-6-[3-[(3-ethylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCCc1cccc(OCC2CCCN(c3ccc(C(=O)NC4CC4)cn3)C2)c1
InChIInChI=1S/C23H29N3O2/c1-2-17-5-3-7-21(13-17)28-16-18-6-4-12-26(15-18)22-11-8-19(14-24-22)23(27)25-20-9-10-20/h3,5,7-8,11,13-14,18,20H,2,4,6,9-10,12,15-16H2,1H3,(H,25,27)
InChIKeySXLQLCYXNDHRSG-UHFFFAOYSA-N
XLogP3.83
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[3-[(3-ethylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-[3-[(3-ethylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide (CID 44526663) is N-cyclopropyl-6-[3-[(3-ethylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[3-[(3-ethylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[3-[(3-ethylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide is CCc1cccc(OCC2CCCN(c3ccc(C(=O)NC4CC4)cn3)C2)c1.
What is the InChIKey of N-cyclopropyl-6-[3-[(3-ethylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is SXLQLCYXNDHRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-2-17-5-3-7-21(13-17)28-16-18-6-4-12-26(15-18)22-11-8-19(14-24-22)23(27)25-20-9-10-20/h3,5,7-8,11,13-14,18,20H,2,4,6,9-10,12,15-16H2,1H3,(H,25,27).
What are the key properties of N-cyclopropyl-6-[3-[(3-ethylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide?
N-cyclopropyl-6-[3-[(3-ethylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[3-[(3-ethylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 44526663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).