1-benzyl-N-(3-morpholin-4-ylpropyl)-5-(pyridin-3-ylmethylcarbamoylamino)indole-3-carboxamide

C30H34N6O3 — CID 71502499

IUPAC1-benzyl-N-(3-morpholin-4-ylpropyl)-5-(pyridin-3-ylmethylcarbamoylamino)indole-3-carboxamide
SMILESO=C(NCc1cccnc1)Nc1ccc2c(c1)c(C(=O)NCCCN1CCOCC1)cn2Cc1ccccc1
InChIInChI=1S/C30H34N6O3/c37-29(32-12-5-13-35-14-16-39-17-15-35)27-22-36(21-23-6-2-1-3-7-23)28-10-9-25(18-26(27)28)34-30(38)33-20-24-8-4-11-31-19-24/h1-4,6-11,18-19,22H,5,12-17,20-21H2,(H,32,37)(H2,33,34,38)
InChIKeyQDAWMMAAKMLILV-UHFFFAOYSA-N
MW526.64 g/mol
LogP3.86
Rot. Bonds10

About 1-benzyl-N-(3-morpholin-4-ylpropyl)-5-(pyridin-3-ylmethylcarbamoylamino)indole-3-carboxamide

1-benzyl-N-(3-morpholin-4-ylpropyl)-5-(pyridin-3-ylmethylcarbamoylamino)indole-3-carboxamide (PubChem CID 71502499) has the molecular formula C30H34N6O3 and a molecular weight of 526.64 g/mol. Its IUPAC name is 1-benzyl-N-(3-morpholin-4-ylpropyl)-5-(pyridin-3-ylmethylcarbamoylamino)indole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(3-morpholin-4-ylpropyl)-5-(pyridin-3-ylmethylcarbamoylamino)indole-3-carboxamide
PubChem CID71502499
Molecular FormulaC30H34N6O3
Molecular Weight526.64 g/mol
Exact Mass526.27
IUPAC Name1-benzyl-N-(3-morpholin-4-ylpropyl)-5-(pyridin-3-ylmethylcarbamoylamino)indole-3-carboxamide
SMILESO=C(NCc1cccnc1)Nc1ccc2c(c1)c(C(=O)NCCCN1CCOCC1)cn2Cc1ccccc1
InChIInChI=1S/C30H34N6O3/c37-29(32-12-5-13-35-14-16-39-17-15-35)27-22-36(21-23-6-2-1-3-7-23)28-10-9-25(18-26(27)28)34-30(38)33-20-24-8-4-11-31-19-24/h1-4,6-11,18-19,22H,5,12-17,20-21H2,(H,32,37)(H2,33,34,38)
InChIKeyQDAWMMAAKMLILV-UHFFFAOYSA-N
XLogP3.86
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.64
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-benzyl-N-(3-morpholin-4-ylpropyl)-5-(pyridin-3-ylmethylcarbamoylamino)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

1-(3-morpholin-4-ylpropyl)-3-(pyridin-3-ylmethyl)urea
CID 127566290
5-(benzylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 3442546
1-[1-benzyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)indol-6-yl]-3-(pyridin-3-ylmethyl)urea
CID 71165009
5-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109185798
1-benzyl-N-[2-(4-benzylpiperazin-1-yl)ethyl]indole-3-carboxamide
CID 10623524
2-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 108994762
N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide;hydrochloride
CID 2909951
3-amino-N-(3-morpholin-4-ylpropyl)pyridine-4-carboxamide
CID 105068500
1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162858
5-methyl-4-phenyl-N-(3-piperidin-1-ylpropyl)-1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide
CID 71165104
1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-3-carboxamide
CID 10547563
2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 2986326

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-morpholin-4-ylpropyl)-5-(pyridin-3-ylmethylcarbamoylamino)indole-3-carboxamide?
The IUPAC name of 1-benzyl-N-(3-morpholin-4-ylpropyl)-5-(pyridin-3-ylmethylcarbamoylamino)indole-3-carboxamide (CID 71502499) is 1-benzyl-N-(3-morpholin-4-ylpropyl)-5-(pyridin-3-ylmethylcarbamoylamino)indole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(3-morpholin-4-ylpropyl)-5-(pyridin-3-ylmethylcarbamoylamino)indole-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(3-morpholin-4-ylpropyl)-5-(pyridin-3-ylmethylcarbamoylamino)indole-3-carboxamide is O=C(NCc1cccnc1)Nc1ccc2c(c1)c(C(=O)NCCCN1CCOCC1)cn2Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(3-morpholin-4-ylpropyl)-5-(pyridin-3-ylmethylcarbamoylamino)indole-3-carboxamide?
The InChIKey is QDAWMMAAKMLILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O3/c37-29(32-12-5-13-35-14-16-39-17-15-35)27-22-36(21-23-6-2-1-3-7-23)28-10-9-25(18-26(27)28)34-30(38)33-20-24-8-4-11-31-19-24/h1-4,6-11,18-19,22H,5,12-17,20-21H2,(H,32,37)(H2,33,34,38).
What are the key properties of 1-benzyl-N-(3-morpholin-4-ylpropyl)-5-(pyridin-3-ylmethylcarbamoylamino)indole-3-carboxamide?
1-benzyl-N-(3-morpholin-4-ylpropyl)-5-(pyridin-3-ylmethylcarbamoylamino)indole-3-carboxamide has a molecular weight of 526.64 g/mol, XLogP of 3.86, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-morpholin-4-ylpropyl)-5-(pyridin-3-ylmethylcarbamoylamino)indole-3-carboxamide is sourced from PubChem (CID 71502499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).