4-[1-amino-3-[1-(1H-indol-3-yl)propan-2-ylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide

C26H27N5O2 — CID 67538183

IUPAC4-[1-amino-3-[1-(1H-indol-3-yl)propan-2-ylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide
SMILESCC(Cc1c[nH]c2ccccc12)NC(=O)CC(N)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C26H27N5O2/c1-17(14-20-16-29-24-5-3-2-4-22(20)24)30-25(32)15-23(27)18-6-8-19(9-7-18)26(33)31-21-10-12-28-13-11-21/h2-13,16-17,23,29H,14-15,27H2,1H3,(H,30,32)(H,28,31,33)
InChIKeyBLVCEWSKLDDOPH-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.95
Rot. Bonds8

About 4-[1-amino-3-[1-(1H-indol-3-yl)propan-2-ylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide

4-[1-amino-3-[1-(1H-indol-3-yl)propan-2-ylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide (PubChem CID 67538183) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 4-[1-amino-3-[1-(1H-indol-3-yl)propan-2-ylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[1-amino-3-[1-(1H-indol-3-yl)propan-2-ylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide
PubChem CID67538183
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name4-[1-amino-3-[1-(1H-indol-3-yl)propan-2-ylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide
SMILESCC(Cc1c[nH]c2ccccc12)NC(=O)CC(N)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C26H27N5O2/c1-17(14-20-16-29-24-5-3-2-4-22(20)24)30-25(32)15-23(27)18-6-8-19(9-7-18)26(33)31-21-10-12-28-13-11-21/h2-13,16-17,23,29H,14-15,27H2,1H3,(H,30,32)(H,28,31,33)
InChIKeyBLVCEWSKLDDOPH-UHFFFAOYSA-N
XLogP3.95
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1H-indol-3-yl)propan-2-yl]pyridine-4-carboxamide
CID 3677874
2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 582689
4-[2-(1H-indol-3-yl)ethylamino]-N-pyridin-4-ylbenzamide
CID 59555813
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methoxyacetamide
CID 53348431
2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 1162947
[2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium
CID 6929476
N-[1-(1H-indol-3-yl)propan-2-yl]butanamide
CID 5022905
4-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide
CID 67536779
4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536954
N-[1-(1H-indol-3-yl)propan-2-yl]-4-nitrobenzamide
CID 2827451
4-[hydroxy(oxido)amino]-N-[1-(1H-indol-3-yl)propan-2-yl]benzamide
CID 163142785
2-(1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17427007

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-3-[1-(1H-indol-3-yl)propan-2-ylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[1-amino-3-[1-(1H-indol-3-yl)propan-2-ylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide (CID 67538183) is 4-[1-amino-3-[1-(1H-indol-3-yl)propan-2-ylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[1-amino-3-[1-(1H-indol-3-yl)propan-2-ylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[1-amino-3-[1-(1H-indol-3-yl)propan-2-ylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide is CC(Cc1c[nH]c2ccccc12)NC(=O)CC(N)c1ccc(C(=O)Nc2ccncc2)cc1.
What is the InChIKey of 4-[1-amino-3-[1-(1H-indol-3-yl)propan-2-ylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide?
The InChIKey is BLVCEWSKLDDOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-17(14-20-16-29-24-5-3-2-4-22(20)24)30-25(32)15-23(27)18-6-8-19(9-7-18)26(33)31-21-10-12-28-13-11-21/h2-13,16-17,23,29H,14-15,27H2,1H3,(H,30,32)(H,28,31,33).
What are the key properties of 4-[1-amino-3-[1-(1H-indol-3-yl)propan-2-ylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide?
4-[1-amino-3-[1-(1H-indol-3-yl)propan-2-ylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide has a molecular weight of 441.54 g/mol, XLogP of 3.95, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-3-[1-(1H-indol-3-yl)propan-2-ylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 67538183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).