N-[2-[butyl(naphthalen-1-yl)amino]-3-pyridinyl]acetamide

C21H23N3O — CID 14740818

IUPACN-[2-[butyl(naphthalen-1-yl)amino]-3-pyridinyl]acetamide
SMILESCCCCN(c1ncccc1NC(C)=O)c1cccc2ccccc12
InChIInChI=1S/C21H23N3O/c1-3-4-15-24(21-19(23-16(2)25)12-8-14-22-21)20-13-7-10-17-9-5-6-11-18(17)20/h5-14H,3-4,15H2,1-2H3,(H,23,25)
InChIKeyFZRZCSDPDMNZEW-UHFFFAOYSA-N
MW333.44 g/mol
LogP5.13
Rot. Bonds6

About N-[2-[butyl(naphthalen-1-yl)amino]-3-pyridinyl]acetamide

N-[2-[butyl(naphthalen-1-yl)amino]-3-pyridinyl]acetamide (PubChem CID 14740818) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[2-[butyl(naphthalen-1-yl)amino]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-[butyl(naphthalen-1-yl)amino]-3-pyridinyl]acetamide
PubChem CID14740818
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-[2-[butyl(naphthalen-1-yl)amino]-3-pyridinyl]acetamide
SMILESCCCCN(c1ncccc1NC(C)=O)c1cccc2ccccc12
InChIInChI=1S/C21H23N3O/c1-3-4-15-24(21-19(23-16(2)25)12-8-14-22-21)20-13-7-10-17-9-5-6-11-18(17)20/h5-14H,3-4,15H2,1-2H3,(H,23,25)
InChIKeyFZRZCSDPDMNZEW-UHFFFAOYSA-N
XLogP5.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.44
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[butyl(naphthalen-1-yl)amino]-3-pyridinyl]acetamide?
The IUPAC name of N-[2-[butyl(naphthalen-1-yl)amino]-3-pyridinyl]acetamide (CID 14740818) is N-[2-[butyl(naphthalen-1-yl)amino]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[2-[butyl(naphthalen-1-yl)amino]-3-pyridinyl]acetamide?
The canonical SMILES for N-[2-[butyl(naphthalen-1-yl)amino]-3-pyridinyl]acetamide is CCCCN(c1ncccc1NC(C)=O)c1cccc2ccccc12.
What is the InChIKey of N-[2-[butyl(naphthalen-1-yl)amino]-3-pyridinyl]acetamide?
The InChIKey is FZRZCSDPDMNZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-3-4-15-24(21-19(23-16(2)25)12-8-14-22-21)20-13-7-10-17-9-5-6-11-18(17)20/h5-14H,3-4,15H2,1-2H3,(H,23,25).
What are the key properties of N-[2-[butyl(naphthalen-1-yl)amino]-3-pyridinyl]acetamide?
N-[2-[butyl(naphthalen-1-yl)amino]-3-pyridinyl]acetamide has a molecular weight of 333.44 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butyl(naphthalen-1-yl)amino]-3-pyridinyl]acetamide is sourced from PubChem (CID 14740818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).