(4-phenyl-3,6-dihydro-2H-pyridin-1-yl) N-(1H-indazol-3-yl)carbamate

C19H18N4O2 — CID 118555430

IUPAC(4-phenyl-3,6-dihydro-2H-pyridin-1-yl) N-(1H-indazol-3-yl)carbamate
SMILESO=C(Nc1n[nH]c2ccccc12)ON1CC=C(c2ccccc2)CC1
InChIInChI=1S/C19H18N4O2/c24-19(20-18-16-8-4-5-9-17(16)21-22-18)25-23-12-10-15(11-13-23)14-6-2-1-3-7-14/h1-10H,11-13H2,(H2,20,21,22,24)
InChIKeyZSYLTKCKQXIWMP-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.82
Rot. Bonds3

About (4-phenyl-3,6-dihydro-2H-pyridin-1-yl) N-(1H-indazol-3-yl)carbamate

(4-phenyl-3,6-dihydro-2H-pyridin-1-yl) N-(1H-indazol-3-yl)carbamate (PubChem CID 118555430) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is (4-phenyl-3,6-dihydro-2H-pyridin-1-yl) N-(1H-indazol-3-yl)carbamate.

Molecular Properties

Compound Name(4-phenyl-3,6-dihydro-2H-pyridin-1-yl) N-(1H-indazol-3-yl)carbamate
PubChem CID118555430
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name(4-phenyl-3,6-dihydro-2H-pyridin-1-yl) N-(1H-indazol-3-yl)carbamate
SMILESO=C(Nc1n[nH]c2ccccc12)ON1CC=C(c2ccccc2)CC1
InChIInChI=1S/C19H18N4O2/c24-19(20-18-16-8-4-5-9-17(16)21-22-18)25-23-12-10-15(11-13-23)14-6-2-1-3-7-14/h1-10H,11-13H2,(H2,20,21,22,24)
InChIKeyZSYLTKCKQXIWMP-UHFFFAOYSA-N
XLogP3.82
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-phenyl-3,6-dihydro-2H-pyridin-1-yl) N-(1H-indazol-3-yl)carbamate?
The IUPAC name of (4-phenyl-3,6-dihydro-2H-pyridin-1-yl) N-(1H-indazol-3-yl)carbamate (CID 118555430) is (4-phenyl-3,6-dihydro-2H-pyridin-1-yl) N-(1H-indazol-3-yl)carbamate.
What is the SMILES notation for (4-phenyl-3,6-dihydro-2H-pyridin-1-yl) N-(1H-indazol-3-yl)carbamate?
The canonical SMILES for (4-phenyl-3,6-dihydro-2H-pyridin-1-yl) N-(1H-indazol-3-yl)carbamate is O=C(Nc1n[nH]c2ccccc12)ON1CC=C(c2ccccc2)CC1.
What is the InChIKey of (4-phenyl-3,6-dihydro-2H-pyridin-1-yl) N-(1H-indazol-3-yl)carbamate?
The InChIKey is ZSYLTKCKQXIWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-19(20-18-16-8-4-5-9-17(16)21-22-18)25-23-12-10-15(11-13-23)14-6-2-1-3-7-14/h1-10H,11-13H2,(H2,20,21,22,24).
What are the key properties of (4-phenyl-3,6-dihydro-2H-pyridin-1-yl) N-(1H-indazol-3-yl)carbamate?
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl) N-(1H-indazol-3-yl)carbamate has a molecular weight of 334.38 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyl-3,6-dihydro-2H-pyridin-1-yl) N-(1H-indazol-3-yl)carbamate is sourced from PubChem (CID 118555430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).