N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide

C26H28N4O3 — CID 4838770

IUPACN-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCC(C)C(NC(=O)c1cc2c(cn1)[nH]c1ccccc12)C(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C26H28N4O3/c1-16(2)24(26(33)28-18(15-31)12-17-8-4-3-5-9-17)30-25(32)22-13-20-19-10-6-7-11-21(19)29-23(20)14-27-22/h3-11,13-14,16,18,24,29,31H,12,15H2,1-2H3,(H,28,33)(H,30,32)
InChIKeyGLUOCRSXCLYQGE-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.19
Rot. Bonds8

About N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide

N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 4838770) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID4838770
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCC(C)C(NC(=O)c1cc2c(cn1)[nH]c1ccccc12)C(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C26H28N4O3/c1-16(2)24(26(33)28-18(15-31)12-17-8-4-3-5-9-17)30-25(32)22-13-20-19-10-6-7-11-21(19)29-23(20)14-27-22/h3-11,13-14,16,18,24,29,31H,12,15H2,1-2H3,(H,28,33)(H,30,32)
InChIKeyGLUOCRSXCLYQGE-UHFFFAOYSA-N
XLogP3.19
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-methyl-2-[2-(9H-pyrido[3,4-b]indole-3-carbonylamino)propanoylamino]butanoic acid
CID 4839071
methyl 3-phenyl-2-(9H-pyrido[3,4-b]indole-3-carbonylamino)propanoate
CID 78593166
N-[1-(3,4-dimethoxyanilino)-3-methyl-1-oxobutan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 4868674
(2S)-2-(9H-pyrido[3,4-b]indole-3-carbonylamino)propanoate
CID 8015997
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 4964733
methyl 4-methyl-2-(9H-pyrido[3,4-b]indole-3-carbonylamino)pentanoate
CID 78302283
N-[(2R)-1-[[(2S,4R,5S)-4-hydroxy-5-[[(2R)-3-methyl-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-oxo-1H-quinoline-2-carboxamide
CID 3005533
methyl (2S)-3-(1H-imidazol-5-yl)-2-(9H-pyrido[3,4-b]indole-3-carbonylamino)propanoate
CID 141093613
propan-2-yl 9H-pyrido[3,4-b]indole-3-carboxylate
CID 10467488
benzyl 9H-pyrido[3,4-b]indole-3-carboxylate
CID 12957539
(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 40918404
[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-4-methyl-1-oxo-2-(9H-pyrido[3,4-b]indol-3-ylmethyl)dodecan-2-yl] carbamate
CID 67872187

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide (CID 4838770) is N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide is CC(C)C(NC(=O)c1cc2c(cn1)[nH]c1ccccc12)C(=O)NC(CO)Cc1ccccc1.
What is the InChIKey of N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is GLUOCRSXCLYQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-16(2)24(26(33)28-18(15-31)12-17-8-4-3-5-9-17)30-25(32)22-13-20-19-10-6-7-11-21(19)29-23(20)14-27-22/h3-11,13-14,16,18,24,29,31H,12,15H2,1-2H3,(H,28,33)(H,30,32).
What are the key properties of N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide?
N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 3.19, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 4838770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).