6-ethyl-3-[3-(2-formamidoethyl)anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide

C21H28N6O3 — CID 167486829

IUPAC6-ethyl-3-[3-(2-formamidoethyl)anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide
SMILESCCc1nc(C(N)=O)c(Nc2cccc(CCNC=O)c2)nc1NC1CCOCC1
InChIInChI=1S/C21H28N6O3/c1-2-17-20(24-15-7-10-30-11-8-15)27-21(18(26-17)19(22)29)25-16-5-3-4-14(12-16)6-9-23-13-28/h3-5,12-13,15H,2,6-11H2,1H3,(H2,22,29)(H,23,28)(H2,24,25,27)
InChIKeySAAISLJXYUTCRB-UHFFFAOYSA-N
MW412.49 g/mol
LogP1.76
Rot. Bonds10

About 6-ethyl-3-[3-(2-formamidoethyl)anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide

6-ethyl-3-[3-(2-formamidoethyl)anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide (PubChem CID 167486829) has the molecular formula C21H28N6O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 6-ethyl-3-[3-(2-formamidoethyl)anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-ethyl-3-[3-(2-formamidoethyl)anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide
PubChem CID167486829
Molecular FormulaC21H28N6O3
Molecular Weight412.49 g/mol
Exact Mass412.22
IUPAC Name6-ethyl-3-[3-(2-formamidoethyl)anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide
SMILESCCc1nc(C(N)=O)c(Nc2cccc(CCNC=O)c2)nc1NC1CCOCC1
InChIInChI=1S/C21H28N6O3/c1-2-17-20(24-15-7-10-30-11-8-15)27-21(18(26-17)19(22)29)25-16-5-3-4-14(12-16)6-9-23-13-28/h3-5,12-13,15H,2,6-11H2,1H3,(H2,22,29)(H,23,28)(H2,24,25,27)
InChIKeySAAISLJXYUTCRB-UHFFFAOYSA-N
XLogP1.76
TPSA131.26 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 51.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-ethyl-3-[3-(2-formamidoethyl)anilino]-5-(oxan-4-ylamino)pyrazine-2-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

6-ethyl-3-[3-(2-formamidoethyl)anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide;N-methylpropan-2-amine
CID 167486828
6-ethyl-5-(oxan-4-ylamino)-3-[3-[3-(prop-2-enoylamino)propoxy]anilino]pyrazine-2-carboxamide
CID 167486999
3-[3-(3-acetamidoprop-1-ynyl)anilino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide
CID 167487020
6-ethyl-5-(oxan-4-ylamino)-3-[[2-[3-(prop-2-ynoylamino)propylamino]-4-pyridinyl]amino]pyrazine-2-carboxamide
CID 167487469
6-ethyl-3-[3-methoxy-5-[2-[4-[methyl(prop-2-ynoyl)amino]butanoylamino]ethyl]anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide
CID 167486844
3-[[(4aR)-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazin-8-yl]amino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide
CID 139575939
[3-[[3-carbamoyl-5-ethyl-6-[(1-methylpiperidin-3-yl)amino]pyrazin-2-yl]amino]phenyl]methanesulfinic acid
CID 174653729
3-[3-(2-aminoethyl)anilino]-5-chloro-6-ethylpyrazine-2-carboxamide
CID 167487007
5-[(4-amino-4-methylcyclohexyl)amino]-3-(3-methylsulfonylanilino)-6-propylpyrazine-2-carboxamide
CID 66642959
3-[(3-aminooxy-6-methylcyclohexa-1,3-dien-1-yl)amino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide
CID 167487439
3-[3-(2-aminoethyl)anilino]-5-(dimethylamino)-6-ethylpyrazine-2-carboxamide
CID 167486803
5-cyclopropyl-6-ethyl-3-[3-[2-[[(2S)-2-[prop-2-enoyl(trideuteriomethyl)amino]propanoyl]amino]ethyl]anilino]pyrazine-2-carboxamide
CID 167487228

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[3-(2-formamidoethyl)anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-ethyl-3-[3-(2-formamidoethyl)anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide (CID 167486829) is 6-ethyl-3-[3-(2-formamidoethyl)anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-ethyl-3-[3-(2-formamidoethyl)anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-ethyl-3-[3-(2-formamidoethyl)anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide is CCc1nc(C(N)=O)c(Nc2cccc(CCNC=O)c2)nc1NC1CCOCC1.
What is the InChIKey of 6-ethyl-3-[3-(2-formamidoethyl)anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide?
The InChIKey is SAAISLJXYUTCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O3/c1-2-17-20(24-15-7-10-30-11-8-15)27-21(18(26-17)19(22)29)25-16-5-3-4-14(12-16)6-9-23-13-28/h3-5,12-13,15H,2,6-11H2,1H3,(H2,22,29)(H,23,28)(H2,24,25,27).
What are the key properties of 6-ethyl-3-[3-(2-formamidoethyl)anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide?
6-ethyl-3-[3-(2-formamidoethyl)anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 1.76, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[3-(2-formamidoethyl)anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 167486829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).