1-[propyl(pyridin-4-yl)amino]indol-5-ol

C16H17N3O — CID 18960815

IUPAC1-[propyl(pyridin-4-yl)amino]indol-5-ol
SMILESCCCN(c1ccncc1)n1ccc2cc(O)ccc21
InChIInChI=1S/C16H17N3O/c1-2-10-18(14-5-8-17-9-6-14)19-11-7-13-12-15(20)3-4-16(13)19/h3-9,11-12,20H,2,10H2,1H3
InChIKeyBNEURMPRVSVUQI-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.42
Rot. Bonds4

About 1-[propyl(pyridin-4-yl)amino]indol-5-ol

1-[propyl(pyridin-4-yl)amino]indol-5-ol (PubChem CID 18960815) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[propyl(pyridin-4-yl)amino]indol-5-ol.

Molecular Properties

Compound Name1-[propyl(pyridin-4-yl)amino]indol-5-ol
PubChem CID18960815
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-[propyl(pyridin-4-yl)amino]indol-5-ol
SMILESCCCN(c1ccncc1)n1ccc2cc(O)ccc21
InChIInChI=1S/C16H17N3O/c1-2-10-18(14-5-8-17-9-6-14)19-11-7-13-12-15(20)3-4-16(13)19/h3-9,11-12,20H,2,10H2,1H3
InChIKeyBNEURMPRVSVUQI-UHFFFAOYSA-N
XLogP3.42
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[propyl(pyridin-4-yl)amino]indol-5-ol?
The IUPAC name of 1-[propyl(pyridin-4-yl)amino]indol-5-ol (CID 18960815) is 1-[propyl(pyridin-4-yl)amino]indol-5-ol.
What is the SMILES notation for 1-[propyl(pyridin-4-yl)amino]indol-5-ol?
The canonical SMILES for 1-[propyl(pyridin-4-yl)amino]indol-5-ol is CCCN(c1ccncc1)n1ccc2cc(O)ccc21.
What is the InChIKey of 1-[propyl(pyridin-4-yl)amino]indol-5-ol?
The InChIKey is BNEURMPRVSVUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-2-10-18(14-5-8-17-9-6-14)19-11-7-13-12-15(20)3-4-16(13)19/h3-9,11-12,20H,2,10H2,1H3.
What are the key properties of 1-[propyl(pyridin-4-yl)amino]indol-5-ol?
1-[propyl(pyridin-4-yl)amino]indol-5-ol has a molecular weight of 267.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[propyl(pyridin-4-yl)amino]indol-5-ol is sourced from PubChem (CID 18960815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).