N-(2-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide

C16H19N3O — CID 81401913

IUPACN-(2-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide
SMILESCc1ccccc1NC(=O)CN[C@@H](C)c1ccccn1
InChIInChI=1S/C16H19N3O/c1-12-7-3-4-8-14(12)19-16(20)11-18-13(2)15-9-5-6-10-17-15/h3-10,13,18H,11H2,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyIUOGSBUULGTZPJ-ZDUSSCGKSA-N
MW269.35 g/mol
LogP2.68
Rot. Bonds5

About N-(2-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide

N-(2-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide (PubChem CID 81401913) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide
PubChem CID81401913
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(2-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide
SMILESCc1ccccc1NC(=O)CN[C@@H](C)c1ccccn1
InChIInChI=1S/C16H19N3O/c1-12-7-3-4-8-14(12)19-16(20)11-18-13(2)15-9-5-6-10-17-15/h3-10,13,18H,11H2,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyIUOGSBUULGTZPJ-ZDUSSCGKSA-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-(2-chlorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]acetamide
CID 81406571
N-(4-methylphenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]acetamide
CID 81406656
N-(4-bromophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide
CID 81401760
N-(2-methylpropyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]acetamide
CID 81406744
N-(4-methoxyphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide
CID 81393069
N-(3-chlorophenyl)-2-(1-pyridin-2-ylethylamino)acetamide
CID 43396868
N-(3-fluorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]acetamide
CID 81407084
2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407440
ethyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate
CID 81401759
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 9306757
2-(1-hydroxypropan-2-ylamino)-N-(2-methylphenyl)acetamide
CID 43499948
N-methyl-N-propan-2-yl-2-(1-pyridin-2-ylethylamino)acetamide
CID 43396941

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide (CID 81401913) is N-(2-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide is Cc1ccccc1NC(=O)CN[C@@H](C)c1ccccn1.
What is the InChIKey of N-(2-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide?
The InChIKey is IUOGSBUULGTZPJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-7-3-4-8-14(12)19-16(20)11-18-13(2)15-9-5-6-10-17-15/h3-10,13,18H,11H2,1-2H3,(H,19,20)/t13-/m0/s1.
What are the key properties of N-(2-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide?
N-(2-methylphenyl)-2-[[(1S)-1-pyridin-2-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-(2-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide is sourced from PubChem (CID 81401913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).