5,6,7-trimethoxy-1-methyl-N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide

C21H24N4O5 — CID 96565032

IUPAC5,6,7-trimethoxy-1-methyl-N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)N[C@H](C)C(=O)Nc3ccccn3)n(C)c2c(OC)c1OC
InChIInChI=1S/C21H24N4O5/c1-12(20(26)24-16-8-6-7-9-22-16)23-21(27)14-10-13-11-15(28-3)18(29-4)19(30-5)17(13)25(14)2/h6-12H,1-5H3,(H,23,27)(H,22,24,26)/t12-/m1/s1
InChIKeyQGWJMYUGQSJXTC-GFCCVEGCSA-N
MW412.45 g/mol
LogP2.36
Rot. Bonds7

About 5,6,7-trimethoxy-1-methyl-N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide

5,6,7-trimethoxy-1-methyl-N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide (PubChem CID 96565032) has the molecular formula C21H24N4O5 and a molecular weight of 412.45 g/mol. Its IUPAC name is 5,6,7-trimethoxy-1-methyl-N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide.

Molecular Properties

Compound Name5,6,7-trimethoxy-1-methyl-N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide
PubChem CID96565032
Molecular FormulaC21H24N4O5
Molecular Weight412.45 g/mol
Exact Mass412.17
IUPAC Name5,6,7-trimethoxy-1-methyl-N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)N[C@H](C)C(=O)Nc3ccccn3)n(C)c2c(OC)c1OC
InChIInChI=1S/C21H24N4O5/c1-12(20(26)24-16-8-6-7-9-22-16)23-21(27)14-10-13-11-15(28-3)18(29-4)19(30-5)17(13)25(14)2/h6-12H,1-5H3,(H,23,27)(H,22,24,26)/t12-/m1/s1
InChIKeyQGWJMYUGQSJXTC-GFCCVEGCSA-N
XLogP2.36
TPSA103.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5,6,7-trimethoxy-1-methyl-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide
CID 45369804
4,6-dimethoxy-1-methyl-N-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide
CID 56737830
N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-5,6,7-trimethoxy-1-methylindole-2-carboxamide
CID 42535642
(2S)-3-methyl-2-[(5,6,7-trimethoxy-1-methylindole-2-carbonyl)amino]butanoate
CID 7070047
(2S,3R)-3-methyl-2-[(5,6,7-trimethoxy-1-methylindole-2-carbonyl)amino]pentanoic acid
CID 7070103
5,6,7-trimethoxy-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide
CID 29129962
N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-benzofuran-2-carboxamide
CID 97263112
5,6,7-trimethoxy-1-methylindole-2-carbonyl chloride
CID 10802949
2,3,4-trimethoxy-N-pyridin-2-ylbenzamide
CID 17399517
(2S)-2-[[(2S)-2-[(4,7-dimethoxy-1-methylindole-2-carbonyl)amino]propanoyl]amino]propanoic acid
CID 7070161
2-methoxy-4,5-dimethyl-N-pyridin-2-ylbenzamide
CID 110761563
2-chloro-N-pyridin-2-ylpropanamide
CID 16789014

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethoxy-1-methyl-N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide?
The IUPAC name of 5,6,7-trimethoxy-1-methyl-N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide (CID 96565032) is 5,6,7-trimethoxy-1-methyl-N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide.
What is the SMILES notation for 5,6,7-trimethoxy-1-methyl-N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide?
The canonical SMILES for 5,6,7-trimethoxy-1-methyl-N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide is COc1cc2cc(C(=O)N[C@H](C)C(=O)Nc3ccccn3)n(C)c2c(OC)c1OC.
What is the InChIKey of 5,6,7-trimethoxy-1-methyl-N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide?
The InChIKey is QGWJMYUGQSJXTC-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H24N4O5/c1-12(20(26)24-16-8-6-7-9-22-16)23-21(27)14-10-13-11-15(28-3)18(29-4)19(30-5)17(13)25(14)2/h6-12H,1-5H3,(H,23,27)(H,22,24,26)/t12-/m1/s1.
What are the key properties of 5,6,7-trimethoxy-1-methyl-N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide?
5,6,7-trimethoxy-1-methyl-N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxy-1-methyl-N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide is sourced from PubChem (CID 96565032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).