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

C23H23N5O — CID 23646959

IUPAC4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)cc1
InChIInChI=1S/C23H23N5O/c24-19(9-18-12-28-22-4-2-1-3-21(18)22)14-29-20-10-17(11-27-13-20)15-5-7-16(8-6-15)23(25)26/h1-8,10-13,19,28H,9,14,24H2,(H3,25,26)/t19-/m0/s1
InChIKeyFBJWMDIGYYDMGL-IBGZPJMESA-N
MW385.47 g/mol
LogP3.46
Rot. Bonds7

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

4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzenecarboximidamide (PubChem CID 23646959) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzenecarboximidamide
PubChem CID23646959
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)cc1
InChIInChI=1S/C23H23N5O/c24-19(9-18-12-28-22-4-2-1-3-21(18)22)14-29-20-10-17(11-27-13-20)15-5-7-16(8-6-15)23(25)26/h1-8,10-13,19,28H,9,14,24H2,(H3,25,26)/t19-/m0/s1
InChIKeyFBJWMDIGYYDMGL-IBGZPJMESA-N
XLogP3.46
TPSA113.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

CID 21071390
CID 21071390
CID 151182
CID 151182
CID 10172943
CID 10172943
CID 89576
CID 89576
CID 11314340
CID 11314340
CID 14624
CID 14624
CID 73814
CID 73814
CID 563605
CID 563605
CID 16733025
CID 16733025
CID 23647573
CID 23647573
CID 6914613
CID 6914613
CID 6914614
CID 6914614

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzenecarboximidamide?
The IUPAC name of 4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzenecarboximidamide (CID 23646959) is 4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzenecarboximidamide.
What is the SMILES notation for 4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzenecarboximidamide?
The canonical SMILES for 4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)cc1.
What is the InChIKey of 4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzenecarboximidamide?
The InChIKey is FBJWMDIGYYDMGL-IBGZPJMESA-N. The full InChI is InChI=1S/C23H23N5O/c24-19(9-18-12-28-22-4-2-1-3-21(18)22)14-29-20-10-17(11-27-13-20)15-5-7-16(8-6-15)23(25)26/h1-8,10-13,19,28H,9,14,24H2,(H3,25,26)/t19-/m0/s1.
What are the key properties of 4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzenecarboximidamide?
4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzenecarboximidamide has a molecular weight of 385.47 g/mol, XLogP of 3.46, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzenecarboximidamide is sourced from PubChem (CID 23646959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).