N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]pyrazine-2-carboxamide

C20H25N3O2 — CID 90653265

IUPACN-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]pyrazine-2-carboxamide
SMILESCC1(C)CC(CCNC(=O)c2cnccn2)(c2ccccc2)CCO1
InChIInChI=1S/C20H25N3O2/c1-19(2)15-20(9-13-25-19,16-6-4-3-5-7-16)8-10-23-18(24)17-14-21-11-12-22-17/h3-7,11-12,14H,8-10,13,15H2,1-2H3,(H,23,24)
InChIKeyKSMHGTXFQPYWIC-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.12
Rot. Bonds5

About N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]pyrazine-2-carboxamide

N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 90653265) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]pyrazine-2-carboxamide
PubChem CID90653265
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]pyrazine-2-carboxamide
SMILESCC1(C)CC(CCNC(=O)c2cnccn2)(c2ccccc2)CCO1
InChIInChI=1S/C20H25N3O2/c1-19(2)15-20(9-13-25-19,16-6-4-3-5-7-16)8-10-23-18(24)17-14-21-11-12-22-17/h3-7,11-12,14H,8-10,13,15H2,1-2H3,(H,23,24)
InChIKeyKSMHGTXFQPYWIC-UHFFFAOYSA-N
XLogP3.12
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 99928565
1-amino-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]cyclopropane-1-carboxamide
CID 56861115
N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-6-methyl-4-oxopyran-2-carboxamide
CID 99939846
N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 56708996
3-benzyl-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 45197694
N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-pyridin-4-ylazetidine-1-carboxamide
CID 126424742
N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 99950061
N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
CID 77083886
N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]benzenesulfonamide
CID 1076269
3-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethylamino]benzoic acid
CID 53388189
N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-6-[5-(2-methoxyethoxy)cyclohexa-1,5-dien-1-yl]pyrazin-2-amine
CID 144587719
1-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-2-(3-methylimidazol-4-yl)imidazole
CID 154566520

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]pyrazine-2-carboxamide (CID 90653265) is N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]pyrazine-2-carboxamide is CC1(C)CC(CCNC(=O)c2cnccn2)(c2ccccc2)CCO1.
What is the InChIKey of N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is KSMHGTXFQPYWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-19(2)15-20(9-13-25-19,16-6-4-3-5-7-16)8-10-23-18(24)17-14-21-11-12-22-17/h3-7,11-12,14H,8-10,13,15H2,1-2H3,(H,23,24).
What are the key properties of N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]pyrazine-2-carboxamide?
N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 90653265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).