N-[2-hydroxy-1-[4-methyl-4-(3-methyl-4-pyridinyl)cyclohexa-1,5-dien-1-yl]ethyl]formamide

C16H20N2O2 — CID 170955548

IUPACN-[2-hydroxy-1-[4-methyl-4-(3-methyl-4-pyridinyl)cyclohexa-1,5-dien-1-yl]ethyl]formamide
SMILESCc1cnccc1C1(C)C=CC(C(CO)NC=O)=CC1
InChIInChI=1S/C16H20N2O2/c1-12-9-17-8-5-14(12)16(2)6-3-13(4-7-16)15(10-19)18-11-20/h3-6,8-9,11,15,19H,7,10H2,1-2H3,(H,18,20)
InChIKeyOMGJGAVVQUWOEO-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.64
Rot. Bonds5

About N-[2-hydroxy-1-[4-methyl-4-(3-methyl-4-pyridinyl)cyclohexa-1,5-dien-1-yl]ethyl]formamide

N-[2-hydroxy-1-[4-methyl-4-(3-methyl-4-pyridinyl)cyclohexa-1,5-dien-1-yl]ethyl]formamide (PubChem CID 170955548) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[2-hydroxy-1-[4-methyl-4-(3-methyl-4-pyridinyl)cyclohexa-1,5-dien-1-yl]ethyl]formamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-[4-methyl-4-(3-methyl-4-pyridinyl)cyclohexa-1,5-dien-1-yl]ethyl]formamide
PubChem CID170955548
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[2-hydroxy-1-[4-methyl-4-(3-methyl-4-pyridinyl)cyclohexa-1,5-dien-1-yl]ethyl]formamide
SMILESCc1cnccc1C1(C)C=CC(C(CO)NC=O)=CC1
InChIInChI=1S/C16H20N2O2/c1-12-9-17-8-5-14(12)16(2)6-3-13(4-7-16)15(10-19)18-11-20/h3-6,8-9,11,15,19H,7,10H2,1-2H3,(H,18,20)
InChIKeyOMGJGAVVQUWOEO-UHFFFAOYSA-N
XLogP1.64
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-1-[4-methyl-4-(3-methyl-4-pyridinyl)cyclohexa-1,5-dien-1-yl]ethyl]formamide?
The IUPAC name of N-[2-hydroxy-1-[4-methyl-4-(3-methyl-4-pyridinyl)cyclohexa-1,5-dien-1-yl]ethyl]formamide (CID 170955548) is N-[2-hydroxy-1-[4-methyl-4-(3-methyl-4-pyridinyl)cyclohexa-1,5-dien-1-yl]ethyl]formamide.
What is the SMILES notation for N-[2-hydroxy-1-[4-methyl-4-(3-methyl-4-pyridinyl)cyclohexa-1,5-dien-1-yl]ethyl]formamide?
The canonical SMILES for N-[2-hydroxy-1-[4-methyl-4-(3-methyl-4-pyridinyl)cyclohexa-1,5-dien-1-yl]ethyl]formamide is Cc1cnccc1C1(C)C=CC(C(CO)NC=O)=CC1.
What is the InChIKey of N-[2-hydroxy-1-[4-methyl-4-(3-methyl-4-pyridinyl)cyclohexa-1,5-dien-1-yl]ethyl]formamide?
The InChIKey is OMGJGAVVQUWOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-9-17-8-5-14(12)16(2)6-3-13(4-7-16)15(10-19)18-11-20/h3-6,8-9,11,15,19H,7,10H2,1-2H3,(H,18,20).
What are the key properties of N-[2-hydroxy-1-[4-methyl-4-(3-methyl-4-pyridinyl)cyclohexa-1,5-dien-1-yl]ethyl]formamide?
N-[2-hydroxy-1-[4-methyl-4-(3-methyl-4-pyridinyl)cyclohexa-1,5-dien-1-yl]ethyl]formamide has a molecular weight of 272.35 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-[4-methyl-4-(3-methyl-4-pyridinyl)cyclohexa-1,5-dien-1-yl]ethyl]formamide is sourced from PubChem (CID 170955548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).