(2S)-N-methyl-2-[methyl-(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)amino]propanamide

C18H23N3O3 — CID 66898272

IUPAC(2S)-N-methyl-2-[methyl-(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)amino]propanamide
SMILESCNC(=O)[C@H](C)N(C)c1cc(=O)c(OCc2ccccc2)cn1C
InChIInChI=1S/C18H23N3O3/c1-13(18(23)19-2)21(4)17-10-15(22)16(11-20(17)3)24-12-14-8-6-5-7-9-14/h5-11,13H,12H2,1-4H3,(H,19,23)/t13-/m0/s1
InChIKeySBGURXYATYEVJR-ZDUSSCGKSA-N
MW329.40 g/mol
LogP1.53
Rot. Bonds6

About (2S)-N-methyl-2-[methyl-(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)amino]propanamide

(2S)-N-methyl-2-[methyl-(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)amino]propanamide (PubChem CID 66898272) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2S)-N-methyl-2-[methyl-(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-methyl-2-[methyl-(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)amino]propanamide
PubChem CID66898272
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(2S)-N-methyl-2-[methyl-(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)amino]propanamide
SMILESCNC(=O)[C@H](C)N(C)c1cc(=O)c(OCc2ccccc2)cn1C
InChIInChI=1S/C18H23N3O3/c1-13(18(23)19-2)21(4)17-10-15(22)16(11-20(17)3)24-12-14-8-6-5-7-9-14/h5-11,13H,12H2,1-4H3,(H,19,23)/t13-/m0/s1
InChIKeySBGURXYATYEVJR-ZDUSSCGKSA-N
XLogP1.53
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 8694047
N-[(2-chlorophenyl)methyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 42440806
2-(aminomethyl)-1-methyl-5-phenylmethoxypyridin-4-one
CID 11172595
benzyl N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 75492678
N-(3-methoxypropyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 52902398
N-(2-methoxyphenyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 51054762
N-(4-butylphenyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 42440870
5-[(4-fluorophenyl)methoxy]-N,1-dimethyl-4-oxopyridine-2-carboxamide
CID 42441092
N-[(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)methyl]hexanamide
CID 167438212
1-(2-amino-3-methylbutyl)-2-(hydroxymethyl)-5-phenylmethoxypyridin-4-one
CID 155679765
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-5-phenylmethoxypyridin-4-one
CID 42440770
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 51054785

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-[methyl-(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)amino]propanamide?
The IUPAC name of (2S)-N-methyl-2-[methyl-(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)amino]propanamide (CID 66898272) is (2S)-N-methyl-2-[methyl-(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)amino]propanamide.
What is the SMILES notation for (2S)-N-methyl-2-[methyl-(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)amino]propanamide?
The canonical SMILES for (2S)-N-methyl-2-[methyl-(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)amino]propanamide is CNC(=O)[C@H](C)N(C)c1cc(=O)c(OCc2ccccc2)cn1C.
What is the InChIKey of (2S)-N-methyl-2-[methyl-(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)amino]propanamide?
The InChIKey is SBGURXYATYEVJR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13(18(23)19-2)21(4)17-10-15(22)16(11-20(17)3)24-12-14-8-6-5-7-9-14/h5-11,13H,12H2,1-4H3,(H,19,23)/t13-/m0/s1.
What are the key properties of (2S)-N-methyl-2-[methyl-(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)amino]propanamide?
(2S)-N-methyl-2-[methyl-(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)amino]propanamide has a molecular weight of 329.40 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-[methyl-(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)amino]propanamide is sourced from PubChem (CID 66898272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).