N-(2-hydroxy-2-pyridin-3-ylethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C17H14N2O2 — CID 141293247

IUPACN-(2-hydroxy-2-pyridin-3-ylethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESO=C(NCC(O)c1cccnc1)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C17H14N2O2/c20-16(10-2-1-5-18-8-10)9-19-17(21)13-4-3-12-14-6-11(14)7-15(12)13/h1-5,7-8,16,20H,6,9H2,(H,19,21)
InChIKeyNTPOPCPCTXPKCQ-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.74
Rot. Bonds4

About N-(2-hydroxy-2-pyridin-3-ylethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-(2-hydroxy-2-pyridin-3-ylethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141293247) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(2-hydroxy-2-pyridin-3-ylethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-pyridin-3-ylethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141293247
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC NameN-(2-hydroxy-2-pyridin-3-ylethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESO=C(NCC(O)c1cccnc1)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C17H14N2O2/c20-16(10-2-1-5-18-8-10)9-19-17(21)13-4-3-12-14-6-11(14)7-15(12)13/h1-5,7-8,16,20H,6,9H2,(H,19,21)
InChIKeyNTPOPCPCTXPKCQ-UHFFFAOYSA-N
XLogP1.74
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydroxy-2-pyridin-3-ylethyl)carbamic acid
CID 21105805
3-(3-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)benzamide
CID 50965140
1-(2-hydroxy-2-pyridin-3-ylethyl)-3-phenylurea
CID 23996231
(1S)-2-(methylamino)-1-pyridin-3-ylethanol
CID 10171254
1-[(S)-cyclopentyl(phenyl)methyl]-3-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]urea
CID 97237571
N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 97013879
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47178927
2-(2-phenylethylamino)-1-pyridin-3-ylethanol
CID 20826867
2-(2-methylanilino)-1-pyridin-3-ylethanol
CID 82040364
3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide
CID 66482775
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
1-phenyl-2-(1-pyridin-3-ylethylamino)ethanol
CID 43499221

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-pyridin-3-ylethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-(2-hydroxy-2-pyridin-3-ylethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141293247) is N-(2-hydroxy-2-pyridin-3-ylethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-pyridin-3-ylethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-pyridin-3-ylethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is O=C(NCC(O)c1cccnc1)C1=C2C=C3CC3=C2C=C1.
What is the InChIKey of N-(2-hydroxy-2-pyridin-3-ylethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is NTPOPCPCTXPKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-16(10-2-1-5-18-8-10)9-19-17(21)13-4-3-12-14-6-11(14)7-15(12)13/h1-5,7-8,16,20H,6,9H2,(H,19,21).
What are the key properties of N-(2-hydroxy-2-pyridin-3-ylethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-(2-hydroxy-2-pyridin-3-ylethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-pyridin-3-ylethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141293247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).