3-amino-N-[2-(4-methylphenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide

C19H24N4O2 — CID 96568637

IUPAC3-amino-N-[2-(4-methylphenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide
SMILESCc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2nccnc2N)cc1
InChIInChI=1S/C19H24N4O2/c1-14-4-6-15(7-5-14)8-11-23(13-16-3-2-12-25-16)19(24)17-18(20)22-10-9-21-17/h4-7,9-10,16H,2-3,8,11-13H2,1H3,(H2,20,22)/t16-/m1/s1
InChIKeyRUCPLNRWIUPRHU-MRXNPFEDSA-N
MW340.43 g/mol
LogP2.23
Rot. Bonds6

About 3-amino-N-[2-(4-methylphenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide

3-amino-N-[2-(4-methylphenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide (PubChem CID 96568637) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-amino-N-[2-(4-methylphenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-methylphenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide
PubChem CID96568637
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-amino-N-[2-(4-methylphenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide
SMILESCc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2nccnc2N)cc1
InChIInChI=1S/C19H24N4O2/c1-14-4-6-15(7-5-14)8-11-23(13-16-3-2-12-25-16)19(24)17-18(20)22-10-9-21-17/h4-7,9-10,16H,2-3,8,11-13H2,1H3,(H2,20,22)/t16-/m1/s1
InChIKeyRUCPLNRWIUPRHU-MRXNPFEDSA-N
XLogP2.23
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 71993852
N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 71993848
3-amino-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119805868
N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)-2H-triazole-4-carboxamide
CID 71993854
1-amino-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119805841
N-[2-(4-methylphenyl)ethyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-4-carboxamide
CID 97070355
4-[2-(4-methylphenyl)ethyl-(oxolan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673914
N-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 77089111
4-amino-3-methoxy-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)butanamide;hydrochloride
CID 120593485
oxolan-2-ylmethyl 3-aminopyrazine-2-carboxylate
CID 60730655
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-4-methylsulfanyl-N-(oxolan-2-ylmethyl)butanamide
CID 119336274
N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120935357

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-methylphenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(4-methylphenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide (CID 96568637) is 3-amino-N-[2-(4-methylphenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(4-methylphenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(4-methylphenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide is Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2nccnc2N)cc1.
What is the InChIKey of 3-amino-N-[2-(4-methylphenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is RUCPLNRWIUPRHU-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-4-6-15(7-5-14)8-11-23(13-16-3-2-12-25-16)19(24)17-18(20)22-10-9-21-17/h4-7,9-10,16H,2-3,8,11-13H2,1H3,(H2,20,22)/t16-/m1/s1.
What are the key properties of 3-amino-N-[2-(4-methylphenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide?
3-amino-N-[2-(4-methylphenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-methylphenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 96568637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).