5,6,7-trimethoxy-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide

C22H26N4O5 — CID 29129962

IUPAC5,6,7-trimethoxy-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)N[C@H](C(=O)Nc3ccccn3)C(C)C)[nH]c2c(OC)c1OC
InChIInChI=1S/C22H26N4O5/c1-12(2)17(22(28)25-16-8-6-7-9-23-16)26-21(27)14-10-13-11-15(29-3)19(30-4)20(31-5)18(13)24-14/h6-12,17,24H,1-5H3,(H,26,27)(H,23,25,28)/t17-/m0/s1
InChIKeyCMYKNMFTLZGZFJ-KRWDZBQOSA-N
MW426.47 g/mol
LogP2.98
Rot. Bonds8

About 5,6,7-trimethoxy-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide

5,6,7-trimethoxy-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide (PubChem CID 29129962) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is 5,6,7-trimethoxy-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5,6,7-trimethoxy-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide
PubChem CID29129962
Molecular FormulaC22H26N4O5
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name5,6,7-trimethoxy-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)N[C@H](C(=O)Nc3ccccn3)C(C)C)[nH]c2c(OC)c1OC
InChIInChI=1S/C22H26N4O5/c1-12(2)17(22(28)25-16-8-6-7-9-23-16)26-21(27)14-10-13-11-15(29-3)19(30-4)20(31-5)18(13)24-14/h6-12,17,24H,1-5H3,(H,26,27)(H,23,25,28)/t17-/m0/s1
InChIKeyCMYKNMFTLZGZFJ-KRWDZBQOSA-N
XLogP2.98
TPSA114.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5,6,7-trimethoxy-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]-5,6,7-trimethoxy-1H-indole-2-carboxamide
CID 42580675
5,6,7-trimethoxy-N-(1-naphthalen-1-ylethyl)-1H-indole-2-carboxamide
CID 77386847
5,6,7-trimethoxy-N-[1-(4-phenylphenyl)ethyl]-1H-indole-2-carboxamide
CID 43074909
N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]benzamide
CID 970701
N-[(2R)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]benzamide
CID 970702
5,6,7-trimethoxy-1-methyl-N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide
CID 96565032
2,3,4-trimethoxy-N-pyridin-2-ylbenzamide
CID 17399517
N-(4-tert-butylphenyl)-5,6,7-trimethoxy-1H-indole-2-carboxamide
CID 47027000
N-[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-5,6,7-trimethoxy-1H-indole-2-carboxamide
CID 45370022
N-[4-amino-1-(2-hydroxyethyl)naphthalen-2-yl]-5,6,7-trimethoxy-1H-indole-2-carboxamide
CID 11293471
(2S)-2-[(4,7-dimethoxy-1H-indole-2-carbonyl)amino]propanoic acid
CID 51342241
4,6-dimethoxy-1-methyl-N-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide
CID 56737830

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethoxy-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5,6,7-trimethoxy-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide (CID 29129962) is 5,6,7-trimethoxy-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5,6,7-trimethoxy-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5,6,7-trimethoxy-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide is COc1cc2cc(C(=O)N[C@H](C(=O)Nc3ccccn3)C(C)C)[nH]c2c(OC)c1OC.
What is the InChIKey of 5,6,7-trimethoxy-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is CMYKNMFTLZGZFJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H26N4O5/c1-12(2)17(22(28)25-16-8-6-7-9-23-16)26-21(27)14-10-13-11-15(29-3)19(30-4)20(31-5)18(13)24-14/h6-12,17,24H,1-5H3,(H,26,27)(H,23,25,28)/t17-/m0/s1.
What are the key properties of 5,6,7-trimethoxy-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide?
5,6,7-trimethoxy-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 2.98, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxy-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 29129962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).