5-(3-chloro-2-methylanilino)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide

C18H22ClN5O2 — CID 109277542

IUPAC5-(3-chloro-2-methylanilino)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
SMILESCc1c(Cl)cccc1Nc1cnc(C(=O)NCCN2CCOCC2)cn1
InChIInChI=1S/C18H22ClN5O2/c1-13-14(19)3-2-4-15(13)23-17-12-21-16(11-22-17)18(25)20-5-6-24-7-9-26-10-8-24/h2-4,11-12H,5-10H2,1H3,(H,20,25)(H,22,23)
InChIKeyWCVNLHJAQQRCOW-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.24
Rot. Bonds6

About 5-(3-chloro-2-methylanilino)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide

5-(3-chloro-2-methylanilino)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide (PubChem CID 109277542) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is 5-(3-chloro-2-methylanilino)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-2-methylanilino)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
PubChem CID109277542
Molecular FormulaC18H22ClN5O2
Molecular Weight375.86 g/mol
Exact Mass375.15
IUPAC Name5-(3-chloro-2-methylanilino)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
SMILESCc1c(Cl)cccc1Nc1cnc(C(=O)NCCN2CCOCC2)cn1
InChIInChI=1S/C18H22ClN5O2/c1-13-14(19)3-2-4-15(13)23-17-12-21-16(11-22-17)18(25)20-5-6-24-7-9-26-10-8-24/h2-4,11-12H,5-10H2,1H3,(H,20,25)(H,22,23)
InChIKeyWCVNLHJAQQRCOW-UHFFFAOYSA-N
XLogP2.24
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,4-dichloroanilino)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 109277582
5-(2-methoxyanilino)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 109277550
2-(3-chloro-2-methylanilino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325371
5-(methylamino)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 107374273
5-(2,6-dichloroanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109185766
N-(2-morpholin-4-ylethyl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide
CID 109277458
5-[(4-chlorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 109277474
5-(4-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 109277590
6-(2,6-dichloroanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115771
2-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109301626
2-(2,3-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109167959
5-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 109276207

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-methylanilino)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3-chloro-2-methylanilino)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide (CID 109277542) is 5-(3-chloro-2-methylanilino)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-chloro-2-methylanilino)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-chloro-2-methylanilino)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide is Cc1c(Cl)cccc1Nc1cnc(C(=O)NCCN2CCOCC2)cn1.
What is the InChIKey of 5-(3-chloro-2-methylanilino)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide?
The InChIKey is WCVNLHJAQQRCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O2/c1-13-14(19)3-2-4-15(13)23-17-12-21-16(11-22-17)18(25)20-5-6-24-7-9-26-10-8-24/h2-4,11-12H,5-10H2,1H3,(H,20,25)(H,22,23).
What are the key properties of 5-(3-chloro-2-methylanilino)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide?
5-(3-chloro-2-methylanilino)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide has a molecular weight of 375.86 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-methylanilino)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109277542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).