N-(3-methylphenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide

C16H19N3O — CID 81409885

IUPACN-(3-methylphenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide
SMILESCc1cccc(NC(=O)CN[C@H](C)c2ccncc2)c1
InChIInChI=1S/C16H19N3O/c1-12-4-3-5-15(10-12)19-16(20)11-18-13(2)14-6-8-17-9-7-14/h3-10,13,18H,11H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyYCPXLIWIRGZYTB-CYBMUJFWSA-N
MW269.35 g/mol
LogP2.68
Rot. Bonds5

About N-(3-methylphenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide

N-(3-methylphenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide (PubChem CID 81409885) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide
PubChem CID81409885
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(3-methylphenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide
SMILESCc1cccc(NC(=O)CN[C@H](C)c2ccncc2)c1
InChIInChI=1S/C16H19N3O/c1-12-4-3-5-15(10-12)19-16(20)11-18-13(2)14-6-8-17-9-7-14/h3-10,13,18H,11H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyYCPXLIWIRGZYTB-CYBMUJFWSA-N
XLogP2.68
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-2-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]sulfanylacetamide
CID 43007777
N-(4-chlorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide
CID 81410060
2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467219
N-(2,6-difluorophenyl)-2-(1-pyridin-4-ylethylamino)acetamide
CID 43408879
N-(4-methylphenyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81367523
2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide
CID 2386923
N-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898362
N-(3-methylphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396912
N-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
CID 54950375
N-(3-fluorophenyl)-2-(1-phenylethylamino)acetamide
CID 43179330
N-(3-methylphenyl)-2-(pentan-2-ylamino)acetamide
CID 43179547
2-(but-3-yn-2-ylamino)-N-(3-methylphenyl)acetamide
CID 114416946

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide (CID 81409885) is N-(3-methylphenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide is Cc1cccc(NC(=O)CN[C@H](C)c2ccncc2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide?
The InChIKey is YCPXLIWIRGZYTB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-4-3-5-15(10-12)19-16(20)11-18-13(2)14-6-8-17-9-7-14/h3-10,13,18H,11H2,1-2H3,(H,19,20)/t13-/m1/s1.
What are the key properties of N-(3-methylphenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide?
N-(3-methylphenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide has a molecular weight of 269.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide is sourced from PubChem (CID 81409885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).