3-[3-(2-aminoethyl)anilino]-5-chloro-6-ethylpyrazine-2-carboxamide

C15H18ClN5O — CID 167487007

IUPAC3-[3-(2-aminoethyl)anilino]-5-chloro-6-ethylpyrazine-2-carboxamide
SMILESCCc1nc(C(N)=O)c(Nc2cccc(CCN)c2)nc1Cl
InChIInChI=1S/C15H18ClN5O/c1-2-11-13(16)21-15(12(20-11)14(18)22)19-10-5-3-4-9(8-10)6-7-17/h3-5,8H,2,6-7,17H2,1H3,(H2,18,22)(H,19,21)
InChIKeyMLHAVMSMRAZKIT-UHFFFAOYSA-N
MW319.80 g/mol
LogP2.04
Rot. Bonds6

About 3-[3-(2-aminoethyl)anilino]-5-chloro-6-ethylpyrazine-2-carboxamide

3-[3-(2-aminoethyl)anilino]-5-chloro-6-ethylpyrazine-2-carboxamide (PubChem CID 167487007) has the molecular formula C15H18ClN5O and a molecular weight of 319.80 g/mol. Its IUPAC name is 3-[3-(2-aminoethyl)anilino]-5-chloro-6-ethylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[3-(2-aminoethyl)anilino]-5-chloro-6-ethylpyrazine-2-carboxamide
PubChem CID167487007
Molecular FormulaC15H18ClN5O
Molecular Weight319.80 g/mol
Exact Mass319.12
IUPAC Name3-[3-(2-aminoethyl)anilino]-5-chloro-6-ethylpyrazine-2-carboxamide
SMILESCCc1nc(C(N)=O)c(Nc2cccc(CCN)c2)nc1Cl
InChIInChI=1S/C15H18ClN5O/c1-2-11-13(16)21-15(12(20-11)14(18)22)19-10-5-3-4-9(8-10)6-7-17/h3-5,8H,2,6-7,17H2,1H3,(H2,18,22)(H,19,21)
InChIKeyMLHAVMSMRAZKIT-UHFFFAOYSA-N
XLogP2.04
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(2-aminoethyl)anilino]-5-(dimethylamino)-6-ethylpyrazine-2-carboxamide
CID 167486803
3-anilino-5-chloro-6-ethylpyrazine-2-carboxamide
CID 155756328
5-chloro-6-ethyl-3-(4-ethyl-3-methylanilino)pyrazine-2-carboxamide
CID 158947283
tert-butyl N-[(2S)-2-[3-[(3-carbamoyl-6-chloro-5-ethylpyrazin-2-yl)amino]phenyl]propyl]carbamate
CID 168970522
6-ethyl-3-[3-[3-(methylamino)propyl]anilino]-5-[methyl(propan-2-yl)amino]pyrazine-2-carboxamide
CID 167487102
[(2S)-1-[2-[3-[(3-carbamoyl-5-ethyl-6-methylpyrazin-2-yl)amino]phenyl]ethylamino]-1-oxopropan-2-yl]-methylcarbamic acid
CID 170354699
amino-[3-[3-(2-aminoethyl)anilino]-6-ethyl-5-methylpyrazin-2-yl]methanol
CID 170422932
5-chloro-6-ethyl-3-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide
CID 87092141
3-[3-[2-[[2-[but-2-ynoyl(methyl)amino]acetyl]amino]ethyl]anilino]-5-(dimethylamino)-6-ethylpyrazine-2-carboxamide
CID 167487406
6-ethyl-3-[3-(2-formamidoethyl)anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide
CID 167486829
6-ethyl-5-[ethyl(methyl)amino]-3-[3-[2-[[2-(methylamino)acetyl]amino]ethyl]anilino]pyrazine-2-carboxamide;dihydrochloride
CID 168970602
5-chloro-6-ethyl-3-(2-methylsulfonylanilino)pyrazine-2-carboxamide
CID 88569686

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminoethyl)anilino]-5-chloro-6-ethylpyrazine-2-carboxamide?
The IUPAC name of 3-[3-(2-aminoethyl)anilino]-5-chloro-6-ethylpyrazine-2-carboxamide (CID 167487007) is 3-[3-(2-aminoethyl)anilino]-5-chloro-6-ethylpyrazine-2-carboxamide.
What is the SMILES notation for 3-[3-(2-aminoethyl)anilino]-5-chloro-6-ethylpyrazine-2-carboxamide?
The canonical SMILES for 3-[3-(2-aminoethyl)anilino]-5-chloro-6-ethylpyrazine-2-carboxamide is CCc1nc(C(N)=O)c(Nc2cccc(CCN)c2)nc1Cl.
What is the InChIKey of 3-[3-(2-aminoethyl)anilino]-5-chloro-6-ethylpyrazine-2-carboxamide?
The InChIKey is MLHAVMSMRAZKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O/c1-2-11-13(16)21-15(12(20-11)14(18)22)19-10-5-3-4-9(8-10)6-7-17/h3-5,8H,2,6-7,17H2,1H3,(H2,18,22)(H,19,21).
What are the key properties of 3-[3-(2-aminoethyl)anilino]-5-chloro-6-ethylpyrazine-2-carboxamide?
3-[3-(2-aminoethyl)anilino]-5-chloro-6-ethylpyrazine-2-carboxamide has a molecular weight of 319.80 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminoethyl)anilino]-5-chloro-6-ethylpyrazine-2-carboxamide is sourced from PubChem (CID 167487007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).