5-[[2-[[3-[(3-hydroxyazetidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-methylamino]-N-methylindole-1-carboxamide

C27H28N6O3 — CID 118901285

IUPAC5-[[2-[[3-[(3-hydroxyazetidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-methylamino]-N-methylindole-1-carboxamide
SMILESCNC(=O)n1ccc2cc(N(C)c3ccnc(NC(=O)c4cccc(CN5CC(O)C5)c4)c3)ccc21
InChIInChI=1S/C27H28N6O3/c1-28-27(36)33-11-9-19-13-21(6-7-24(19)33)31(2)22-8-10-29-25(14-22)30-26(35)20-5-3-4-18(12-20)15-32-16-23(34)17-32/h3-14,23,34H,15-17H2,1-2H3,(H,28,36)(H,29,30,35)
InChIKeyUERHGWOAPHFNMX-UHFFFAOYSA-N
MW484.56 g/mol
LogP3.42
Rot. Bonds6

About 5-[[2-[[3-[(3-hydroxyazetidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-methylamino]-N-methylindole-1-carboxamide

5-[[2-[[3-[(3-hydroxyazetidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-methylamino]-N-methylindole-1-carboxamide (PubChem CID 118901285) has the molecular formula C27H28N6O3 and a molecular weight of 484.56 g/mol. Its IUPAC name is 5-[[2-[[3-[(3-hydroxyazetidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-methylamino]-N-methylindole-1-carboxamide.

Molecular Properties

Compound Name5-[[2-[[3-[(3-hydroxyazetidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-methylamino]-N-methylindole-1-carboxamide
PubChem CID118901285
Molecular FormulaC27H28N6O3
Molecular Weight484.56 g/mol
Exact Mass484.22
IUPAC Name5-[[2-[[3-[(3-hydroxyazetidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-methylamino]-N-methylindole-1-carboxamide
SMILESCNC(=O)n1ccc2cc(N(C)c3ccnc(NC(=O)c4cccc(CN5CC(O)C5)c4)c3)ccc21
InChIInChI=1S/C27H28N6O3/c1-28-27(36)33-11-9-19-13-21(6-7-24(19)33)31(2)22-8-10-29-25(14-22)30-26(35)20-5-3-4-18(12-20)15-32-16-23(34)17-32/h3-14,23,34H,15-17H2,1-2H3,(H,28,36)(H,29,30,35)
InChIKeyUERHGWOAPHFNMX-UHFFFAOYSA-N
XLogP3.42
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[[2-[[3-[(3-hydroxyazetidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-methylamino]-N-methylindole-1-carboxamide with MolForge

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Related Compounds

5-[[2-[[3-[[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methyl]benzoyl]amino]-4-pyridinyl]-methylamino]-N-methylindole-1-carboxamide
CID 145020732
5-[[2-[[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzoyl]amino]-4-pyridinyl]-methylamino]-N-methylindole-1-carboxamide
CID 118901290
5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-(2-methoxyethyl)amino]-N-methylindole-1-carboxamide
CID 118901235
6-chloro-5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-methylamino]-N-methylindole-1-carboxamide
CID 118901053
5-[2-methoxyethyl-[2-[[4-(1-propan-2-ylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide
CID 118900989
5-[2-ethoxyethyl-[2-[[4-(1-ethylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide
CID 118901009
5-[2-fluoroethyl-[2-[[4-(2-morpholin-4-ylethyl)benzoyl]amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide
CID 118901127
ethane;5-[3-methoxypropyl-[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide
CID 145020851
5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]-[(3R)-3-hydroxybutyl]amino]-N-methylindole-1-carboxamide
CID 118901174
6-(2-ethoxyethoxy)-5-[[2-[[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
CID 90349032
4-[2-(4-ethyl-3,5-dimethylpiperazin-1-yl)ethyl]-N-[4-[methyl-(1-methylindol-5-yl)amino]-2-pyridinyl]benzamide
CID 145020783
5-[(3-methoxy-3-methylbutyl)-[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide
CID 118900987

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[[3-[(3-hydroxyazetidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-methylamino]-N-methylindole-1-carboxamide?
The IUPAC name of 5-[[2-[[3-[(3-hydroxyazetidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-methylamino]-N-methylindole-1-carboxamide (CID 118901285) is 5-[[2-[[3-[(3-hydroxyazetidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-methylamino]-N-methylindole-1-carboxamide.
What is the SMILES notation for 5-[[2-[[3-[(3-hydroxyazetidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-methylamino]-N-methylindole-1-carboxamide?
The canonical SMILES for 5-[[2-[[3-[(3-hydroxyazetidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-methylamino]-N-methylindole-1-carboxamide is CNC(=O)n1ccc2cc(N(C)c3ccnc(NC(=O)c4cccc(CN5CC(O)C5)c4)c3)ccc21.
What is the InChIKey of 5-[[2-[[3-[(3-hydroxyazetidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-methylamino]-N-methylindole-1-carboxamide?
The InChIKey is UERHGWOAPHFNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O3/c1-28-27(36)33-11-9-19-13-21(6-7-24(19)33)31(2)22-8-10-29-25(14-22)30-26(35)20-5-3-4-18(12-20)15-32-16-23(34)17-32/h3-14,23,34H,15-17H2,1-2H3,(H,28,36)(H,29,30,35).
What are the key properties of 5-[[2-[[3-[(3-hydroxyazetidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-methylamino]-N-methylindole-1-carboxamide?
5-[[2-[[3-[(3-hydroxyazetidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-methylamino]-N-methylindole-1-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[[3-[(3-hydroxyazetidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-methylamino]-N-methylindole-1-carboxamide is sourced from PubChem (CID 118901285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).