N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide

C26H32N4O3 — CID 55659212

IUPACN-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccnc(OC2CCCC2)c1
InChIInChI=1S/C26H32N4O3/c1-17(2)25(31)30-23(14-19-16-28-22-10-6-5-9-21(19)22)26(32)29-15-18-11-12-27-24(13-18)33-20-7-3-4-8-20/h5-6,9-13,16-17,20,23,28H,3-4,7-8,14-15H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyRDHACHWIGYRIFC-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.88
Rot. Bonds9

About N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide

N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide (PubChem CID 55659212) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
PubChem CID55659212
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC NameN-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccnc(OC2CCCC2)c1
InChIInChI=1S/C26H32N4O3/c1-17(2)25(31)30-23(14-19-16-28-22-10-6-5-9-21(19)22)26(32)29-15-18-11-12-27-24(13-18)33-20-7-3-4-8-20/h5-6,9-13,16-17,20,23,28H,3-4,7-8,14-15H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyRDHACHWIGYRIFC-UHFFFAOYSA-N
XLogP3.88
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide 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-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 86981506
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-phenoxypropanamide
CID 86981489
2-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(1H-indol-3-yl)propanamide
CID 55636976
N-[3-(1H-indol-3-yl)-1-oxo-1-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-2-yl]-2-methylpropanamide
CID 55958924
N-[4-[[[3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoyl]amino]methyl]phenyl]-2-methylpropanamide
CID 55652089
N-[1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55648130
N-[1-(3-hydroxybutylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 111433482
N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-2-hydroxy-2-phenylacetamide
CID 75393518
N-[3-(1H-indol-3-yl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-oxopropan-2-yl]-2-methylpropanamide
CID 55970141
3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoic acid
CID 582733
(2R)-N-benzyl-3-(1H-indol-3-yl)-2-[[(E)-4-oxopent-2-en-2-yl]amino]propanamide
CID 51398273
(2S)-2-(carbamoylamino)-N-[(1R)-1-cyclopropylethyl]-3-(1H-indol-3-yl)propanamide
CID 33044135

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide (CID 55659212) is N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide is CC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccnc(OC2CCCC2)c1.
What is the InChIKey of N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide?
The InChIKey is RDHACHWIGYRIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-17(2)25(31)30-23(14-19-16-28-22-10-6-5-9-21(19)22)26(32)29-15-18-11-12-27-24(13-18)33-20-7-3-4-8-20/h5-6,9-13,16-17,20,23,28H,3-4,7-8,14-15H2,1-2H3,(H,29,32)(H,30,31).
What are the key properties of N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide?
N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide has a molecular weight of 448.57 g/mol, XLogP of 3.88, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 55659212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).