2-[6-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate

C16H15N2O5- — CID 18172501

IUPAC2-[6-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate
SMILESCc1ccc(NC(=O)OCc2ccccc2)c(=O)n1CC(=O)[O-]
InChIInChI=1S/C16H16N2O5/c1-11-7-8-13(15(21)18(11)9-14(19)20)17-16(22)23-10-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,17,22)(H,19,20)/p-1
InChIKeyKSIZSWMDKITEMY-UHFFFAOYSA-M
MW315.31 g/mol
LogP0.66
Rot. Bonds5

About 2-[6-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate

2-[6-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate (PubChem CID 18172501) has the molecular formula C16H15N2O5- and a molecular weight of 315.31 g/mol. Its IUPAC name is 2-[6-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate.

Molecular Properties

Compound Name2-[6-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate
PubChem CID18172501
Molecular FormulaC16H15N2O5-
Molecular Weight315.31 g/mol
Exact Mass315.10
IUPAC Name2-[6-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate
SMILESCc1ccc(NC(=O)OCc2ccccc2)c(=O)n1CC(=O)[O-]
InChIInChI=1S/C16H16N2O5/c1-11-7-8-13(15(21)18(11)9-14(19)20)17-16(22)23-10-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,17,22)(H,19,20)/p-1
InChIKeyKSIZSWMDKITEMY-UHFFFAOYSA-M
XLogP0.66
TPSA100.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-[1-[2-[[(2S,3S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]carbamate
CID 11844933
methyl 2-[2-oxo-6-(2-phenylethenyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate
CID 174378849
tert-butyl 2-[6-methyl-2-oxo-3-[[(2R)-1-phenyl-3-(phenylmethoxycarbonylamino)propan-2-yl]amino]-1-pyridinyl]acetate
CID 20639595
2-[2-oxo-6-(2-phenylethyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid
CID 66853852
benzyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)carbamate
CID 70699902
benzyl N-[2-oxo-1-[2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-6-phenyl-3-pyridinyl]carbamate
CID 139631472
2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid
CID 66854688
2-[6-benzyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid
CID 66853303
benzyl N-(4-bromo-2-methylphenyl)carbamate
CID 53217034
2-[2-(4-chlorophenyl)-6-oxo-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]acetic acid
CID 10093188
methyl 2-[6-methyl-2-oxo-4-phenoxy-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate
CID 70186119
benzyl N-[6-oxo-1-(2-oxoethyl)-2-phenylpyrimidin-5-yl]carbamate
CID 10361338

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate?
The IUPAC name of 2-[6-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate (CID 18172501) is 2-[6-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate.
What is the SMILES notation for 2-[6-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate?
The canonical SMILES for 2-[6-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate is Cc1ccc(NC(=O)OCc2ccccc2)c(=O)n1CC(=O)[O-].
What is the InChIKey of 2-[6-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate?
The InChIKey is KSIZSWMDKITEMY-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H16N2O5/c1-11-7-8-13(15(21)18(11)9-14(19)20)17-16(22)23-10-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,17,22)(H,19,20)/p-1.
What are the key properties of 2-[6-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate?
2-[6-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate has a molecular weight of 315.31 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate is sourced from PubChem (CID 18172501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).