N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide

C31H35N5O4 — CID 90349017

IUPACN-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide
SMILESCNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(C)CC5)cc4)c3)c(OC(C)C)cc21
InChIInChI=1S/C31H35N5O4/c1-20(2)39-28-19-26-24(12-16-36(26)31(38)32-3)17-27(28)40-25-9-13-33-29(18-25)34-30(37)23-7-5-21(6-8-23)22-10-14-35(4)15-11-22/h5-9,12-13,16-20,22H,10-11,14-15H2,1-4H3,(H,32,38)(H,33,34,37)
InChIKeyPKOYSORXPYEVDX-UHFFFAOYSA-N
MW541.65 g/mol
LogP5.86
Rot. Bonds7

About N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide

N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide (PubChem CID 90349017) has the molecular formula C31H35N5O4 and a molecular weight of 541.65 g/mol. Its IUPAC name is N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide
PubChem CID90349017
Molecular FormulaC31H35N5O4
Molecular Weight541.65 g/mol
Exact Mass541.27
IUPAC NameN-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide
SMILESCNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(C)CC5)cc4)c3)c(OC(C)C)cc21
InChIInChI=1S/C31H35N5O4/c1-20(2)39-28-19-26-24(12-16-36(26)31(38)32-3)17-27(28)40-25-9-13-33-29(18-25)34-30(37)23-7-5-21(6-8-23)22-10-14-35(4)15-11-22/h5-9,12-13,16-20,22H,10-11,14-15H2,1-4H3,(H,32,38)(H,33,34,37)
InChIKeyPKOYSORXPYEVDX-UHFFFAOYSA-N
XLogP5.86
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.65
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2-methoxyethoxy)-N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]indole-1-carboxamide
CID 78323433
6-methoxy-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide
CID 90343905
5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide;propane
CID 145159187
6-ethyl-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
CID 90367870
5-[[2-[[4-[1-(2-hydroxypropyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-(3-methoxypropoxy)-N-methylindole-1-carboxamide
CID 118601717
6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxypropyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
CID 118601742
5-[[2-[[4-[1-(2-hydroxy-2-methylpropyl)azetidin-3-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide
CID 90349008
4-(1-ethylpiperidin-4-yl)-N-[4-(6-methoxy-1-methylindol-5-yl)oxy-2-pyridinyl]benzamide
CID 141411892
4-[1-(2-hydroxyethyl)piperidin-4-yl]-N-[4-[6-(2-methoxyethoxy)-1-propanoylindol-5-yl]oxy-2-pyridinyl]benzamide
CID 90348966
3-fluoro-4-[4-[[4-[6-methoxy-1-(methylcarbamoyl)indol-5-yl]oxy-2-pyridinyl]carbamoyl]phenyl]piperidine-1-carboxylic acid
CID 90342123
4-(1-ethylpiperidin-4-yl)-N-[4-[6-methoxy-1-(methylamino)indol-5-yl]oxy-2-pyridinyl]benzamide
CID 126762251
5-[(2-amino-4-pyridinyl)oxy]-N-methyl-6-propan-2-yloxyindole-1-carboxamide
CID 86730325

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide?
The IUPAC name of N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide (CID 90349017) is N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide.
What is the SMILES notation for N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide?
The canonical SMILES for N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide is CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(C)CC5)cc4)c3)c(OC(C)C)cc21.
What is the InChIKey of N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide?
The InChIKey is PKOYSORXPYEVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O4/c1-20(2)39-28-19-26-24(12-16-36(26)31(38)32-3)17-27(28)40-25-9-13-33-29(18-25)34-30(37)23-7-5-21(6-8-23)22-10-14-35(4)15-11-22/h5-9,12-13,16-20,22H,10-11,14-15H2,1-4H3,(H,32,38)(H,33,34,37).
What are the key properties of N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide?
N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide has a molecular weight of 541.65 g/mol, XLogP of 5.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide is sourced from PubChem (CID 90349017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).