N-(3-chloro-4-cyanophenyl)-5-(ethylamino)pyrazine-2-carboxamide

C14H12ClN5O — CID 107374422

IUPACN-(3-chloro-4-cyanophenyl)-5-(ethylamino)pyrazine-2-carboxamide
SMILESCCNc1cnc(C(=O)Nc2ccc(C#N)c(Cl)c2)cn1
InChIInChI=1S/C14H12ClN5O/c1-2-17-13-8-18-12(7-19-13)14(21)20-10-4-3-9(6-16)11(15)5-10/h3-5,7-8H,2H2,1H3,(H,17,19)(H,20,21)
InChIKeyPKOXPWOZNMOZSQ-UHFFFAOYSA-N
MW301.74 g/mol
LogP2.69
Rot. Bonds4

About N-(3-chloro-4-cyanophenyl)-5-(ethylamino)pyrazine-2-carboxamide

N-(3-chloro-4-cyanophenyl)-5-(ethylamino)pyrazine-2-carboxamide (PubChem CID 107374422) has the molecular formula C14H12ClN5O and a molecular weight of 301.74 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-5-(ethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-5-(ethylamino)pyrazine-2-carboxamide
PubChem CID107374422
Molecular FormulaC14H12ClN5O
Molecular Weight301.74 g/mol
Exact Mass301.07
IUPAC NameN-(3-chloro-4-cyanophenyl)-5-(ethylamino)pyrazine-2-carboxamide
SMILESCCNc1cnc(C(=O)Nc2ccc(C#N)c(Cl)c2)cn1
InChIInChI=1S/C14H12ClN5O/c1-2-17-13-8-18-12(7-19-13)14(21)20-10-4-3-9(6-16)11(15)5-10/h3-5,7-8H,2H2,1H3,(H,17,19)(H,20,21)
InChIKeyPKOXPWOZNMOZSQ-UHFFFAOYSA-N
XLogP2.69
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 62165803
N-(3-chloro-4-cyanophenyl)-4-(ethylamino)pyridine-2-carboxamide
CID 62165795
N-(2-cyano-4-fluorophenyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107376511
5-(ethylamino)-N-(4-iodophenyl)pyrazine-2-carboxamide
CID 107374377
5-(ethylamino)-N-(2-methyl-4-pyridinyl)pyrazine-2-carboxamide
CID 107376119
N-(2,3-dihydro-1H-inden-5-yl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374031
N-(4-cyanophenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109271147
5-(ethylamino)-N-(3-fluoro-4-methoxyphenyl)pyrazine-2-carboxamide
CID 107374487
1-(3-chloro-4-cyanophenyl)-3-ethylurea
CID 115569840
N-(2-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374242
N-(3-chloro-4-methylphenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 62184769
N-(3-chloro-4-fluorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109273040

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-5-(ethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-5-(ethylamino)pyrazine-2-carboxamide (CID 107374422) is N-(3-chloro-4-cyanophenyl)-5-(ethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-5-(ethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-5-(ethylamino)pyrazine-2-carboxamide is CCNc1cnc(C(=O)Nc2ccc(C#N)c(Cl)c2)cn1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-5-(ethylamino)pyrazine-2-carboxamide?
The InChIKey is PKOXPWOZNMOZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O/c1-2-17-13-8-18-12(7-19-13)14(21)20-10-4-3-9(6-16)11(15)5-10/h3-5,7-8H,2H2,1H3,(H,17,19)(H,20,21).
What are the key properties of N-(3-chloro-4-cyanophenyl)-5-(ethylamino)pyrazine-2-carboxamide?
N-(3-chloro-4-cyanophenyl)-5-(ethylamino)pyrazine-2-carboxamide has a molecular weight of 301.74 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-5-(ethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107374422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).