N-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyrazine-3-carboxamide

C18H16N4O3 — CID 99929721

IUPACN-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESCOc1ccc([C@H](NC(=O)c2c[nH]c(=O)cn2)c2ccncc2)cc1
InChIInChI=1S/C18H16N4O3/c1-25-14-4-2-12(3-5-14)17(13-6-8-19-9-7-13)22-18(24)15-10-21-16(23)11-20-15/h2-11,17H,1H3,(H,21,23)(H,22,24)/t17-/m0/s1
InChIKeyVQKKREYNNAZOCV-KRWDZBQOSA-N
MW336.35 g/mol
LogP1.69
Rot. Bonds5

About N-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyrazine-3-carboxamide

N-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 99929721) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID99929721
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESCOc1ccc([C@H](NC(=O)c2c[nH]c(=O)cn2)c2ccncc2)cc1
InChIInChI=1S/C18H16N4O3/c1-25-14-4-2-12(3-5-14)17(13-6-8-19-9-7-13)22-18(24)15-10-21-16(23)11-20-15/h2-11,17H,1H3,(H,21,23)(H,22,24)/t17-/m0/s1
InChIKeyVQKKREYNNAZOCV-KRWDZBQOSA-N
XLogP1.69
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyrazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-1H-pyrazole-4-carboxamide
CID 77079339
N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 72879148
N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96575078
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-(4-methoxyphenyl)acetamide
CID 110440139
N-[1-(4-bromophenyl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 61066772
N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 16677379
N-[2-[[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]carbamoylamino]ethyl]-2-methylpropanamide
CID 126429579
1-(4-fluorophenyl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]cyclopropane-1-carboxamide
CID 97140868
1-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-(1-methylcyclobutyl)urea
CID 126423150
2-(azepan-1-yl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]acetamide
CID 125161673
4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide
CID 20896997
5-N-[bis(4-methoxyphenyl)methyl]-6-oxo-2-N-(2-oxoethyl)-1H-pyrimidine-2,5-dicarboxamide
CID 129057687

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyrazine-3-carboxamide (CID 99929721) is N-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyrazine-3-carboxamide is COc1ccc([C@H](NC(=O)c2c[nH]c(=O)cn2)c2ccncc2)cc1.
What is the InChIKey of N-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is VQKKREYNNAZOCV-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-25-14-4-2-12(3-5-14)17(13-6-8-19-9-7-13)22-18(24)15-10-21-16(23)11-20-15/h2-11,17H,1H3,(H,21,23)(H,22,24)/t17-/m0/s1.
What are the key properties of N-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyrazine-3-carboxamide?
N-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 99929721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).