3,4,5-trimethoxy-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]benzamide

C19H23N3O6 — CID 9210823

IUPAC3,4,5-trimethoxy-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]benzamide
SMILESCOc1ccc(NC(=O)[C@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1
InChIInChI=1S/C19H23N3O6/c1-11(18(23)22-13-6-7-16(27-4)20-10-13)21-19(24)12-8-14(25-2)17(28-5)15(9-12)26-3/h6-11H,1-5H3,(H,21,24)(H,22,23)/t11-/m0/s1
InChIKeyKIEAMSXFUVCIIJ-NSHDSACASA-N
MW389.41 g/mol
LogP1.87
Rot. Bonds8

About 3,4,5-trimethoxy-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]benzamide

3,4,5-trimethoxy-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]benzamide (PubChem CID 9210823) has the molecular formula C19H23N3O6 and a molecular weight of 389.41 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]benzamide
PubChem CID9210823
Molecular FormulaC19H23N3O6
Molecular Weight389.41 g/mol
Exact Mass389.16
IUPAC Name3,4,5-trimethoxy-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]benzamide
SMILESCOc1ccc(NC(=O)[C@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1
InChIInChI=1S/C19H23N3O6/c1-11(18(23)22-13-6-7-16(27-4)20-10-13)21-19(24)12-8-14(25-2)17(28-5)15(9-12)26-3/h6-11H,1-5H3,(H,21,24)(H,22,23)/t11-/m0/s1
InChIKeyKIEAMSXFUVCIIJ-NSHDSACASA-N
XLogP1.87
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3,4,5-trimethoxy-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]benzamide with MolForge

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Related Compounds

N-[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 9369331
2,3-dichloro-N-[1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]benzamide
CID 55740603
2-bromo-N-(6-methoxy-3-pyridinyl)propanamide
CID 107902789
(2R)-N-(3,5-dimethoxyphenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 25345790
3,4,5-triethoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 7478549
benzyl N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]carbamate
CID 26245375
3,4,5-trimethoxy-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 9366092
3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide
CID 61090732
N-[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 9209715
3,4,5-trimethoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(trifluoromethyl)anilino]butan-2-yl]benzamide
CID 41307358
3,4,5-trimethoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 92527695
3,4,5-trimethoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 17193980

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]benzamide (CID 9210823) is 3,4,5-trimethoxy-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]benzamide is COc1ccc(NC(=O)[C@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1.
What is the InChIKey of 3,4,5-trimethoxy-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]benzamide?
The InChIKey is KIEAMSXFUVCIIJ-NSHDSACASA-N. The full InChI is InChI=1S/C19H23N3O6/c1-11(18(23)22-13-6-7-16(27-4)20-10-13)21-19(24)12-8-14(25-2)17(28-5)15(9-12)26-3/h6-11H,1-5H3,(H,21,24)(H,22,23)/t11-/m0/s1.
What are the key properties of 3,4,5-trimethoxy-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]benzamide?
3,4,5-trimethoxy-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]benzamide has a molecular weight of 389.41 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 9210823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).