4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]benzamide

C27H24N4O3 — CID 69132252

IUPAC4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2cc(OC[C@@H](N)Cc3c[nH]c4ccccc34)cnc2-c2ccoc2)cc1
InChIInChI=1S/C27H24N4O3/c28-21(11-20-13-30-25-4-2-1-3-23(20)25)16-34-22-12-24(17-5-7-18(8-6-17)27(29)32)26(31-14-22)19-9-10-33-15-19/h1-10,12-15,21,30H,11,16,28H2,(H2,29,32)/t21-/m0/s1
InChIKeyHHHTYYVGGFMKPQ-NRFANRHFSA-N
MW452.51 g/mol
LogP4.54
Rot. Bonds8

About 4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]benzamide

4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]benzamide (PubChem CID 69132252) has the molecular formula C27H24N4O3 and a molecular weight of 452.51 g/mol. Its IUPAC name is 4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]benzamide
PubChem CID69132252
Molecular FormulaC27H24N4O3
Molecular Weight452.51 g/mol
Exact Mass452.18
IUPAC Name4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2cc(OC[C@@H](N)Cc3c[nH]c4ccccc34)cnc2-c2ccoc2)cc1
InChIInChI=1S/C27H24N4O3/c28-21(11-20-13-30-25-4-2-1-3-23(20)25)16-34-22-12-24(17-5-7-18(8-6-17)27(29)32)26(31-14-22)19-9-10-33-15-19/h1-10,12-15,21,30H,11,16,28H2,(H2,29,32)/t21-/m0/s1
InChIKeyHHHTYYVGGFMKPQ-NRFANRHFSA-N
XLogP4.54
TPSA120.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzoic acid
CID 22607536
benzenethiol;(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)-N,N-dimethylpropan-2-amine
CID 91439970
(2S)-1-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
CID 69132706
[[amino-[4-[5-[(2R)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]phenyl]methylidene]amino] 2,2,2-trifluoroacetate
CID 173227110
(2S)-1-[[6-(furan-3-yl)-5-[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-amine
CID 69133262
(2S)-1-(1H-indol-3-yl)-3-(6-pyridin-4-ylquinolin-3-yl)oxypropan-2-amine
CID 10150682
5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-1H-indole-2,3-dione
CID 23647542
(2S)-1-[[5-(2H-benzotriazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
CID 20744785
(2R)-1-(1H-indol-3-yl)-3-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]propan-2-amine
CID 10194205
5-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-2,3-dihydroisoindol-1-one
CID 22607306
5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 23647541
(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-1H-isoindol-5-yl)-3-pyridinyl]oxy]propan-2-amine
CID 153027718

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]benzamide?
The IUPAC name of 4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]benzamide (CID 69132252) is 4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]benzamide is NC(=O)c1ccc(-c2cc(OC[C@@H](N)Cc3c[nH]c4ccccc34)cnc2-c2ccoc2)cc1.
What is the InChIKey of 4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]benzamide?
The InChIKey is HHHTYYVGGFMKPQ-NRFANRHFSA-N. The full InChI is InChI=1S/C27H24N4O3/c28-21(11-20-13-30-25-4-2-1-3-23(20)25)16-34-22-12-24(17-5-7-18(8-6-17)27(29)32)26(31-14-22)19-9-10-33-15-19/h1-10,12-15,21,30H,11,16,28H2,(H2,29,32)/t21-/m0/s1.
What are the key properties of 4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]benzamide?
4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]benzamide has a molecular weight of 452.51 g/mol, XLogP of 4.54, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 69132252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).