N-[3-(1H-indol-3-yl)-1-oxo-1-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-2-yl]-2-methylpropanamide

C28H30N4O3 — CID 55958924

IUPACN-[3-(1H-indol-3-yl)-1-oxo-1-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C28H30N4O3/c1-19(2)27(33)32-26(15-21-17-30-25-9-4-3-8-24(21)25)28(34)31-16-20-10-12-23(13-11-20)35-18-22-7-5-6-14-29-22/h3-14,17,19,26,30H,15-16,18H2,1-2H3,(H,31,34)(H,32,33)
InChIKeyKKVRUZRBRSFQGU-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.14
Rot. Bonds10

About N-[3-(1H-indol-3-yl)-1-oxo-1-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-2-yl]-2-methylpropanamide

N-[3-(1H-indol-3-yl)-1-oxo-1-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-2-yl]-2-methylpropanamide (PubChem CID 55958924) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-[3-(1H-indol-3-yl)-1-oxo-1-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(1H-indol-3-yl)-1-oxo-1-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-2-yl]-2-methylpropanamide
PubChem CID55958924
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC NameN-[3-(1H-indol-3-yl)-1-oxo-1-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C28H30N4O3/c1-19(2)27(33)32-26(15-21-17-30-25-9-4-3-8-24(21)25)28(34)31-16-20-10-12-23(13-11-20)35-18-22-7-5-6-14-29-22/h3-14,17,19,26,30H,15-16,18H2,1-2H3,(H,31,34)(H,32,33)
InChIKeyKKVRUZRBRSFQGU-UHFFFAOYSA-N
XLogP4.14
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-(1H-indol-3-yl)-1-oxo-1-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-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-[4-[[[3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoyl]amino]methyl]phenyl]-2-methylpropanamide
CID 55652089
benzyl N-[3-(1H-indol-3-yl)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]carbamate
CID 42910159
N-[1-(3-hydroxybutylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 111433482
N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55659212
N-[1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55648130
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)-N-benzyl-2-(dimethylcarbamoylamino)-3-(1H-indol-3-yl)propanamide
CID 110286534
N-[1-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55651213
N-[1-[2-(4-ethylbenzoyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55650702
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 39978358
N-[3-(1H-indol-3-yl)-1-[[4-(methoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46424980

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-3-yl)-1-oxo-1-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[3-(1H-indol-3-yl)-1-oxo-1-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-2-yl]-2-methylpropanamide (CID 55958924) is N-[3-(1H-indol-3-yl)-1-oxo-1-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(1H-indol-3-yl)-1-oxo-1-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[3-(1H-indol-3-yl)-1-oxo-1-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-2-yl]-2-methylpropanamide is CC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(OCc2ccccn2)cc1.
What is the InChIKey of N-[3-(1H-indol-3-yl)-1-oxo-1-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-2-yl]-2-methylpropanamide?
The InChIKey is KKVRUZRBRSFQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-19(2)27(33)32-26(15-21-17-30-25-9-4-3-8-24(21)25)28(34)31-16-20-10-12-23(13-11-20)35-18-22-7-5-6-14-29-22/h3-14,17,19,26,30H,15-16,18H2,1-2H3,(H,31,34)(H,32,33).
What are the key properties of N-[3-(1H-indol-3-yl)-1-oxo-1-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-2-yl]-2-methylpropanamide?
N-[3-(1H-indol-3-yl)-1-oxo-1-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-2-yl]-2-methylpropanamide has a molecular weight of 470.57 g/mol, XLogP of 4.14, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-3-yl)-1-oxo-1-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 55958924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).