1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

C26H30N4O2 — CID 55816301

IUPAC1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCCN(C(=O)CN1CCC(C(=O)Nc2cc(C)ccn2)CC1)c1cccc2ccccc12
InChIInChI=1S/C26H30N4O2/c1-3-30(23-10-6-8-20-7-4-5-9-22(20)23)25(31)18-29-15-12-21(13-16-29)26(32)28-24-17-19(2)11-14-27-24/h4-11,14,17,21H,3,12-13,15-16,18H2,1-2H3,(H,27,28,32)
InChIKeyLYHHYUCFAKTZDC-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.25
Rot. Bonds6

About 1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55816301) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55816301
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCCN(C(=O)CN1CCC(C(=O)Nc2cc(C)ccn2)CC1)c1cccc2ccccc12
InChIInChI=1S/C26H30N4O2/c1-3-30(23-10-6-8-20-7-4-5-9-22(20)23)25(31)18-29-15-12-21(13-16-29)26(32)28-24-17-19(2)11-14-27-24/h4-11,14,17,21H,3,12-13,15-16,18H2,1-2H3,(H,27,28,32)
InChIKeyLYHHYUCFAKTZDC-UHFFFAOYSA-N
XLogP4.25
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55816301) is 1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is CCN(C(=O)CN1CCC(C(=O)Nc2cc(C)ccn2)CC1)c1cccc2ccccc12.
What is the InChIKey of 1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is LYHHYUCFAKTZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-3-30(23-10-6-8-20-7-4-5-9-22(20)23)25(31)18-29-15-12-21(13-16-29)26(32)28-24-17-19(2)11-14-27-24/h4-11,14,17,21H,3,12-13,15-16,18H2,1-2H3,(H,27,28,32).
What are the key properties of 1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55816301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).