N-[[4-(2-aminoethyl)phenyl]methyl]-6-oxo-1H-pyrazine-3-carboxamide

C14H16N4O2 — CID 62500976

IUPACN-[[4-(2-aminoethyl)phenyl]methyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESNCCc1ccc(CNC(=O)c2c[nH]c(=O)cn2)cc1
InChIInChI=1S/C14H16N4O2/c15-6-5-10-1-3-11(4-2-10)7-18-14(20)12-8-17-13(19)9-16-12/h1-4,8-9H,5-7,15H2,(H,17,19)(H,18,20)
InChIKeySKUSVMTYXUWRGO-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.20
Rot. Bonds5

About N-[[4-(2-aminoethyl)phenyl]methyl]-6-oxo-1H-pyrazine-3-carboxamide

N-[[4-(2-aminoethyl)phenyl]methyl]-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 62500976) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[[4-(2-aminoethyl)phenyl]methyl]-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-aminoethyl)phenyl]methyl]-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID62500976
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[[4-(2-aminoethyl)phenyl]methyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESNCCc1ccc(CNC(=O)c2c[nH]c(=O)cn2)cc1
InChIInChI=1S/C14H16N4O2/c15-6-5-10-1-3-11(4-2-10)7-18-14(20)12-8-17-13(19)9-16-12/h1-4,8-9H,5-7,15H2,(H,17,19)(H,18,20)
InChIKeySKUSVMTYXUWRGO-UHFFFAOYSA-N
XLogP0.20
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[4-(2-aminoethyl)phenyl]methyl]-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-(2-aminoethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 62502313
5-(2-aminoethyl)-1H-pyrazin-2-one
CID 67418746
N-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide
CID 62502833
ethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate
CID 60817245
N-[[4-(2-aminoethyl)phenyl]methyl]-2-iodobenzamide
CID 62500805
5-(aminomethyl)-N-benzylpyridine-2-carboxamide
CID 55230776
2-[[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetyl]amino]acetic acid
CID 43465507
N-[(4-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 113435772
N-[[4-(2-aminoethyl)phenyl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115736977
N-[[4-(2-aminoethyl)phenyl]methyl]-3-chloropyridine-4-carboxamide
CID 66482036
5-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-carboxamide
CID 107231717
N-[[4-(2-aminoethyl)phenyl]methyl]-2-chlorobenzamide
CID 62502652

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-6-oxo-1H-pyrazine-3-carboxamide (CID 62500976) is N-[[4-(2-aminoethyl)phenyl]methyl]-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-[[4-(2-aminoethyl)phenyl]methyl]-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-[[4-(2-aminoethyl)phenyl]methyl]-6-oxo-1H-pyrazine-3-carboxamide is NCCc1ccc(CNC(=O)c2c[nH]c(=O)cn2)cc1.
What is the InChIKey of N-[[4-(2-aminoethyl)phenyl]methyl]-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is SKUSVMTYXUWRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-6-5-10-1-3-11(4-2-10)7-18-14(20)12-8-17-13(19)9-16-12/h1-4,8-9H,5-7,15H2,(H,17,19)(H,18,20).
What are the key properties of N-[[4-(2-aminoethyl)phenyl]methyl]-6-oxo-1H-pyrazine-3-carboxamide?
N-[[4-(2-aminoethyl)phenyl]methyl]-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoethyl)phenyl]methyl]-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 62500976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).