5-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide

C22H26N6O4 — CID 10343072

IUPAC5-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
SMILESCNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)N[C@@H](CC(C)C)C(N)=O)c3)ccc21
InChIInChI=1S/C22H26N6O4/c1-13(2)10-17(20(23)29)26-21(30)27-19-12-16(6-8-25-19)32-15-4-5-18-14(11-15)7-9-28(18)22(31)24-3/h4-9,11-13,17H,10H2,1-3H3,(H2,23,29)(H,24,31)(H2,25,26,27,30)/t17-/m0/s1
InChIKeyRJJABHLQBHQRNL-KRWDZBQOSA-N
MW438.49 g/mol
LogP3.04
Rot. Bonds7

About 5-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide

5-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide (PubChem CID 10343072) has the molecular formula C22H26N6O4 and a molecular weight of 438.49 g/mol. Its IUPAC name is 5-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide.

Molecular Properties

Compound Name5-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
PubChem CID10343072
Molecular FormulaC22H26N6O4
Molecular Weight438.49 g/mol
Exact Mass438.20
IUPAC Name5-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
SMILESCNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)N[C@@H](CC(C)C)C(N)=O)c3)ccc21
InChIInChI=1S/C22H26N6O4/c1-13(2)10-17(20(23)29)26-21(30)27-19-12-16(6-8-25-19)32-15-4-5-18-14(11-15)7-9-28(18)22(31)24-3/h4-9,11-13,17H,10H2,1-3H3,(H2,23,29)(H,24,31)(H2,25,26,27,30)/t17-/m0/s1
InChIKeyRJJABHLQBHQRNL-KRWDZBQOSA-N
XLogP3.04
TPSA140.37 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 53.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-[[2-[[(2R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
CID 10457251
N-methyl-5-[[2-(prop-2-enylcarbamoylamino)-4-pyridinyl]oxy]indole-1-carboxamide
CID 23072181
5-[[2-[3-(4-hydroxypiperidin-1-yl)propylcarbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
CID 10344471
N-methyl-5-[[2-[(4-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide
CID 10434497
5-[[2-[(4-hydroxypiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]-N-(3-methylbutyl)indole-1-carboxamide
CID 10073189
6-ethyl-N-methyl-5-[[2-(methylamino)-4-pyridinyl]oxy]indole-1-carboxamide
CID 126761978
5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-cyclopropylindole-1-carboxamide
CID 58930818
5-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide
CID 21054849
5-[(2-amino-4-pyridinyl)oxy]-N-methyl-6-propan-2-yloxyindole-1-carboxamide
CID 86730325
5-[[2-(propan-2-ylcarbamoyl)-4-pyridinyl]oxy]indole-1-carboxylic acid
CID 71149256
6-(2-methoxyethoxy)-N-methyl-5-[[2-(2,4,4-trimethylpentan-2-ylamino)-4-pyridinyl]oxy]indole-1-carboxamide
CID 167497339
N-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]-3-(4-hydroxypiperidin-1-yl)propanamide
CID 58272968

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide?
The IUPAC name of 5-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide (CID 10343072) is 5-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide.
What is the SMILES notation for 5-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide?
The canonical SMILES for 5-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide is CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)N[C@@H](CC(C)C)C(N)=O)c3)ccc21.
What is the InChIKey of 5-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide?
The InChIKey is RJJABHLQBHQRNL-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H26N6O4/c1-13(2)10-17(20(23)29)26-21(30)27-19-12-16(6-8-25-19)32-15-4-5-18-14(11-15)7-9-28(18)22(31)24-3/h4-9,11-13,17H,10H2,1-3H3,(H2,23,29)(H,24,31)(H2,25,26,27,30)/t17-/m0/s1.
What are the key properties of 5-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide?
5-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide has a molecular weight of 438.49 g/mol, XLogP of 3.04, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide is sourced from PubChem (CID 10343072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).