N-[(2S)-3-methyl-1-oxo-1-[4-(tetrazol-1-yl)butylamino]pentan-2-yl]-9H-carbazole-3-carboxamide

C24H29N7O2 — CID 154170540

IUPACN-[(2S)-3-methyl-1-oxo-1-[4-(tetrazol-1-yl)butylamino]pentan-2-yl]-9H-carbazole-3-carboxamide
SMILESCCC(C)[C@H](NC(=O)c1ccc2[nH]c3ccccc3c2c1)C(=O)NCCCCn1cnnn1
InChIInChI=1S/C24H29N7O2/c1-3-16(2)22(24(33)25-12-6-7-13-31-15-26-29-30-31)28-23(32)17-10-11-21-19(14-17)18-8-4-5-9-20(18)27-21/h4-5,8-11,14-16,22,27H,3,6-7,12-13H2,1-2H3,(H,25,33)(H,28,32)/t16?,22-/m0/s1
InChIKeyXIOVGCLQXRRPLT-XLDIYJRPSA-N
MW447.54 g/mol
LogP3.05
Rot. Bonds10

About N-[(2S)-3-methyl-1-oxo-1-[4-(tetrazol-1-yl)butylamino]pentan-2-yl]-9H-carbazole-3-carboxamide

N-[(2S)-3-methyl-1-oxo-1-[4-(tetrazol-1-yl)butylamino]pentan-2-yl]-9H-carbazole-3-carboxamide (PubChem CID 154170540) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-oxo-1-[4-(tetrazol-1-yl)butylamino]pentan-2-yl]-9H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-oxo-1-[4-(tetrazol-1-yl)butylamino]pentan-2-yl]-9H-carbazole-3-carboxamide
PubChem CID154170540
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC NameN-[(2S)-3-methyl-1-oxo-1-[4-(tetrazol-1-yl)butylamino]pentan-2-yl]-9H-carbazole-3-carboxamide
SMILESCCC(C)[C@H](NC(=O)c1ccc2[nH]c3ccccc3c2c1)C(=O)NCCCCn1cnnn1
InChIInChI=1S/C24H29N7O2/c1-3-16(2)22(24(33)25-12-6-7-13-31-15-26-29-30-31)28-23(32)17-10-11-21-19(14-17)18-8-4-5-9-20(18)27-21/h4-5,8-11,14-16,22,27H,3,6-7,12-13H2,1-2H3,(H,25,33)(H,28,32)/t16?,22-/m0/s1
InChIKeyXIOVGCLQXRRPLT-XLDIYJRPSA-N
XLogP3.05
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2S)-3-methyl-1-oxo-1-[4-(tetrazol-1-yl)butylamino]pentan-2-yl]-9H-carbazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]-9H-carbazole-3-carboxamide
CID 67461997
N-[(2S,3S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]-9H-carbazole-3-carboxamide
CID 158196704
N-[(2S,3S)-3-methyl-1-oxo-1-(3-pyrazol-1-ylpropylamino)pentan-2-yl]benzamide
CID 37394224
N-[(3S)-3-methyl-1-(oxan-4-ylmethylamino)-1-sulfanylidenepentan-2-yl]-9H-carbazole-3-carboxamide
CID 87200615
2-[[2-(9H-carbazol-2-yloxy)acetyl]amino]-3-methyl-N-octadecylpentanamide
CID 21015740
(3R)-3-[[(2S)-2-[[2-(2-fluorophenyl)acetyl]amino]-3-methylpentanoyl]amino]-N-[(3S)-3-methyl-1-oxo-1-[4-(tetrazol-1-yl)butylamino]pentan-2-yl]-8-(trifluoromethyl)-1,2,4,9-tetrahydrocarbazole-3-carboxamide
CID 67292148
N-[(2R,3S)-3-hydroxy-1-oxo-1-(tridecylamino)butan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 172948494
2,3-dimethyl-N-(3-methylpentan-2-yl)-1H-indole-5-carboxamide
CID 61409406
N-[3-methyl-1-[3-(2-methylbenzimidazol-1-yl)propylamino]-1-oxopentan-2-yl]benzamide
CID 55340414
N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]-3-chloro-4-fluorobenzamide
CID 53199813
N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]-4-propan-2-ylbenzamide
CID 53199808
N-[1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 51143908

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-oxo-1-[4-(tetrazol-1-yl)butylamino]pentan-2-yl]-9H-carbazole-3-carboxamide?
The IUPAC name of N-[(2S)-3-methyl-1-oxo-1-[4-(tetrazol-1-yl)butylamino]pentan-2-yl]-9H-carbazole-3-carboxamide (CID 154170540) is N-[(2S)-3-methyl-1-oxo-1-[4-(tetrazol-1-yl)butylamino]pentan-2-yl]-9H-carbazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-oxo-1-[4-(tetrazol-1-yl)butylamino]pentan-2-yl]-9H-carbazole-3-carboxamide?
The canonical SMILES for N-[(2S)-3-methyl-1-oxo-1-[4-(tetrazol-1-yl)butylamino]pentan-2-yl]-9H-carbazole-3-carboxamide is CCC(C)[C@H](NC(=O)c1ccc2[nH]c3ccccc3c2c1)C(=O)NCCCCn1cnnn1.
What is the InChIKey of N-[(2S)-3-methyl-1-oxo-1-[4-(tetrazol-1-yl)butylamino]pentan-2-yl]-9H-carbazole-3-carboxamide?
The InChIKey is XIOVGCLQXRRPLT-XLDIYJRPSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-3-16(2)22(24(33)25-12-6-7-13-31-15-26-29-30-31)28-23(32)17-10-11-21-19(14-17)18-8-4-5-9-20(18)27-21/h4-5,8-11,14-16,22,27H,3,6-7,12-13H2,1-2H3,(H,25,33)(H,28,32)/t16?,22-/m0/s1.
What are the key properties of N-[(2S)-3-methyl-1-oxo-1-[4-(tetrazol-1-yl)butylamino]pentan-2-yl]-9H-carbazole-3-carboxamide?
N-[(2S)-3-methyl-1-oxo-1-[4-(tetrazol-1-yl)butylamino]pentan-2-yl]-9H-carbazole-3-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 3.05, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-oxo-1-[4-(tetrazol-1-yl)butylamino]pentan-2-yl]-9H-carbazole-3-carboxamide is sourced from PubChem (CID 154170540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).