formamide;[2-[3-(6-pyrrolidin-1-yl-2-pyridinyl)anilino]phenyl]methanol

C23H26N4O2 — CID 144796932

IUPACformamide;[2-[3-(6-pyrrolidin-1-yl-2-pyridinyl)anilino]phenyl]methanol
SMILESNC=O.OCc1ccccc1Nc1cccc(-c2cccc(N3CCCC3)n2)c1
InChIInChI=1S/C22H23N3O.CH3NO/c26-16-18-7-1-2-10-21(18)23-19-9-5-8-17(15-19)20-11-6-12-22(24-20)25-13-3-4-14-25;2-1-3/h1-2,5-12,15,23,26H,3-4,13-14,16H2;1H,(H2,2,3)
InChIKeyWPLGCCKFSKKEQF-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.69
Rot. Bonds5

About formamide;[2-[3-(6-pyrrolidin-1-yl-2-pyridinyl)anilino]phenyl]methanol

formamide;[2-[3-(6-pyrrolidin-1-yl-2-pyridinyl)anilino]phenyl]methanol (PubChem CID 144796932) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is formamide;[2-[3-(6-pyrrolidin-1-yl-2-pyridinyl)anilino]phenyl]methanol.

Molecular Properties

Compound Nameformamide;[2-[3-(6-pyrrolidin-1-yl-2-pyridinyl)anilino]phenyl]methanol
PubChem CID144796932
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Nameformamide;[2-[3-(6-pyrrolidin-1-yl-2-pyridinyl)anilino]phenyl]methanol
SMILESNC=O.OCc1ccccc1Nc1cccc(-c2cccc(N3CCCC3)n2)c1
InChIInChI=1S/C22H23N3O.CH3NO/c26-16-18-7-1-2-10-21(18)23-19-9-5-8-17(15-19)20-11-6-12-22(24-20)25-13-3-4-14-25;2-1-3/h1-2,5-12,15,23,26H,3-4,13-14,16H2;1H,(H2,2,3)
InChIKeyWPLGCCKFSKKEQF-UHFFFAOYSA-N
XLogP3.69
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formamide;[2-[3-(6-pyrrolidin-1-yl-2-pyridinyl)anilino]phenyl]methanol?
The IUPAC name of formamide;[2-[3-(6-pyrrolidin-1-yl-2-pyridinyl)anilino]phenyl]methanol (CID 144796932) is formamide;[2-[3-(6-pyrrolidin-1-yl-2-pyridinyl)anilino]phenyl]methanol.
What is the SMILES notation for formamide;[2-[3-(6-pyrrolidin-1-yl-2-pyridinyl)anilino]phenyl]methanol?
The canonical SMILES for formamide;[2-[3-(6-pyrrolidin-1-yl-2-pyridinyl)anilino]phenyl]methanol is NC=O.OCc1ccccc1Nc1cccc(-c2cccc(N3CCCC3)n2)c1.
What is the InChIKey of formamide;[2-[3-(6-pyrrolidin-1-yl-2-pyridinyl)anilino]phenyl]methanol?
The InChIKey is WPLGCCKFSKKEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O.CH3NO/c26-16-18-7-1-2-10-21(18)23-19-9-5-8-17(15-19)20-11-6-12-22(24-20)25-13-3-4-14-25;2-1-3/h1-2,5-12,15,23,26H,3-4,13-14,16H2;1H,(H2,2,3).
What are the key properties of formamide;[2-[3-(6-pyrrolidin-1-yl-2-pyridinyl)anilino]phenyl]methanol?
formamide;[2-[3-(6-pyrrolidin-1-yl-2-pyridinyl)anilino]phenyl]methanol has a molecular weight of 390.49 g/mol, XLogP of 3.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;[2-[3-(6-pyrrolidin-1-yl-2-pyridinyl)anilino]phenyl]methanol is sourced from PubChem (CID 144796932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).