N-[3-bromo-4-(pyridin-3-ylamino)phenyl]-3-(1H-indol-3-yl)propanamide

C22H19BrN4O — CID 53385177

IUPACN-[3-bromo-4-(pyridin-3-ylamino)phenyl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1ccc(Nc2cccnc2)c(Br)c1
InChIInChI=1S/C22H19BrN4O/c23-19-12-16(8-9-21(19)26-17-4-3-11-24-14-17)27-22(28)10-7-15-13-25-20-6-2-1-5-18(15)20/h1-6,8-9,11-14,25-26H,7,10H2,(H,27,28)
InChIKeyNKOGGCYLZHDKOE-UHFFFAOYSA-N
MW435.33 g/mol
LogP5.64
Rot. Bonds6

About N-[3-bromo-4-(pyridin-3-ylamino)phenyl]-3-(1H-indol-3-yl)propanamide

N-[3-bromo-4-(pyridin-3-ylamino)phenyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 53385177) has the molecular formula C22H19BrN4O and a molecular weight of 435.33 g/mol. Its IUPAC name is N-[3-bromo-4-(pyridin-3-ylamino)phenyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-bromo-4-(pyridin-3-ylamino)phenyl]-3-(1H-indol-3-yl)propanamide
PubChem CID53385177
Molecular FormulaC22H19BrN4O
Molecular Weight435.33 g/mol
Exact Mass434.07
IUPAC NameN-[3-bromo-4-(pyridin-3-ylamino)phenyl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1ccc(Nc2cccnc2)c(Br)c1
InChIInChI=1S/C22H19BrN4O/c23-19-12-16(8-9-21(19)26-17-4-3-11-24-14-17)27-22(28)10-7-15-13-25-20-6-2-1-5-18(15)20/h1-6,8-9,11-14,25-26H,7,10H2,(H,27,28)
InChIKeyNKOGGCYLZHDKOE-UHFFFAOYSA-N
XLogP5.64
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.33
LogP ≤ 55.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide
CID 7732917
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 4806902
3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide
CID 26580490
3-(1H-indol-3-yl)-N-(2-methyl-4-pyridinyl)propanamide
CID 78915659
N-[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 46400273
3-(1H-indol-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide
CID 43073730
N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide
CID 27906978
3-(1H-indol-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 2129206
N-(3-cyanophenyl)-3-(1H-indol-3-yl)propanamide
CID 2522746
N-[3-(3-chloro-4-fluorophenyl)-4-(pyridin-3-ylamino)phenyl]-2-(1H-indol-3-yl)acetamide;2,2,2-trifluoroacetic acid
CID 53385127
3-(1H-indol-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 87008252
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-4-(pyridin-3-ylamino)phenyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[3-bromo-4-(pyridin-3-ylamino)phenyl]-3-(1H-indol-3-yl)propanamide (CID 53385177) is N-[3-bromo-4-(pyridin-3-ylamino)phenyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[3-bromo-4-(pyridin-3-ylamino)phenyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[3-bromo-4-(pyridin-3-ylamino)phenyl]-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)Nc1ccc(Nc2cccnc2)c(Br)c1.
What is the InChIKey of N-[3-bromo-4-(pyridin-3-ylamino)phenyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is NKOGGCYLZHDKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN4O/c23-19-12-16(8-9-21(19)26-17-4-3-11-24-14-17)27-22(28)10-7-15-13-25-20-6-2-1-5-18(15)20/h1-6,8-9,11-14,25-26H,7,10H2,(H,27,28).
What are the key properties of N-[3-bromo-4-(pyridin-3-ylamino)phenyl]-3-(1H-indol-3-yl)propanamide?
N-[3-bromo-4-(pyridin-3-ylamino)phenyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 435.33 g/mol, XLogP of 5.64, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-4-(pyridin-3-ylamino)phenyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 53385177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).