N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-2-methyl-1H-indole-3-carboxamide

C21H24N4O3 — CID 66728085

IUPACN-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-2-methyl-1H-indole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)[nH]c3ccccc23)cc1C(=O)NCCCN
InChIInChI=1S/C21H24N4O3/c1-13-19(15-6-3-4-7-17(15)24-13)21(27)25-14-8-9-18(28-2)16(12-14)20(26)23-11-5-10-22/h3-4,6-9,12,24H,5,10-11,22H2,1-2H3,(H,23,26)(H,25,27)
InChIKeyUAOKHIDRPPQKAV-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.82
Rot. Bonds7

About N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-2-methyl-1H-indole-3-carboxamide

N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-2-methyl-1H-indole-3-carboxamide (PubChem CID 66728085) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-2-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-2-methyl-1H-indole-3-carboxamide
PubChem CID66728085
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-2-methyl-1H-indole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)[nH]c3ccccc23)cc1C(=O)NCCCN
InChIInChI=1S/C21H24N4O3/c1-13-19(15-6-3-4-7-17(15)24-13)21(27)25-14-8-9-18(28-2)16(12-14)20(26)23-11-5-10-22/h3-4,6-9,12,24H,5,10-11,22H2,1-2H3,(H,23,26)(H,25,27)
InChIKeyUAOKHIDRPPQKAV-UHFFFAOYSA-N
XLogP2.82
TPSA109.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-2-methyl-1H-indole-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

3-N-(3-aminopropyl)-1-N-(1H-indazol-3-yl)-4-methoxybenzene-1,3-dicarboxamide
CID 140608395
N-(2,5-dimethoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110762508
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-3-(2,5-dimethylthiophen-3-yl)-4-methyl-1H-pyrazole-5-carboxamide
CID 66727986
N-(3-aminopropyl)-5-(1,3-benzodioxol-5-ylcarbamoylamino)-2-methoxybenzamide
CID 66748308
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-3-(3-chlorophenyl)-4-methyl-1H-pyrazole-5-carboxamide
CID 66727961
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-ethynylpyridine-3-carboxamide
CID 87126859
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-4-(furan-2-yl)pyridine-2-carboxamide
CID 66727957
2-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1H-indole-3-carboxamide
CID 24676897
N-(3-aminopropyl)-2-methoxy-5-(1,3-thiazol-2-ylcarbamoylamino)benzamide
CID 87134001
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-cyclopropylpyridine-3-carboxamide
CID 66728054
5-acetamido-N-benzyl-2-methoxybenzamide
CID 110764462
2-methyl-N-quinolin-6-yl-1H-indole-3-carboxamide
CID 60555892

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-2-methyl-1H-indole-3-carboxamide?
The IUPAC name of N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-2-methyl-1H-indole-3-carboxamide (CID 66728085) is N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-2-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-2-methyl-1H-indole-3-carboxamide?
The canonical SMILES for N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-2-methyl-1H-indole-3-carboxamide is COc1ccc(NC(=O)c2c(C)[nH]c3ccccc23)cc1C(=O)NCCCN.
What is the InChIKey of N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-2-methyl-1H-indole-3-carboxamide?
The InChIKey is UAOKHIDRPPQKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-13-19(15-6-3-4-7-17(15)24-13)21(27)25-14-8-9-18(28-2)16(12-14)20(26)23-11-5-10-22/h3-4,6-9,12,24H,5,10-11,22H2,1-2H3,(H,23,26)(H,25,27).
What are the key properties of N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-2-methyl-1H-indole-3-carboxamide?
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-2-methyl-1H-indole-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.82, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-2-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 66728085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).