5-methyl-N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide

C18H29N5O3 — CID 4174718

IUPAC5-methyl-N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCC(=O)NC(C)C)CCN2CCOCC2)cn1
InChIInChI=1S/C18H29N5O3/c1-14(2)21-17(24)4-5-23(7-6-22-8-10-26-11-9-22)18(25)16-13-19-15(3)12-20-16/h12-14H,4-11H2,1-3H3,(H,21,24)
InChIKeyTVKRLINYYACHKH-UHFFFAOYSA-N
MW363.46 g/mol
LogP0.47
Rot. Bonds8

About 5-methyl-N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide

5-methyl-N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide (PubChem CID 4174718) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 5-methyl-N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide
PubChem CID4174718
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name5-methyl-N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCC(=O)NC(C)C)CCN2CCOCC2)cn1
InChIInChI=1S/C18H29N5O3/c1-14(2)21-17(24)4-5-23(7-6-22-8-10-26-11-9-22)18(25)16-13-19-15(3)12-20-16/h12-14H,4-11H2,1-3H3,(H,21,24)
InChIKeyTVKRLINYYACHKH-UHFFFAOYSA-N
XLogP0.47
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(3-morpholin-4-ylpropyl)-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]pyrazine-2-carboxamide
CID 3307273
5-methyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 42783038
5-methyl-N-(2-methylpropyl)-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]pyrazine-2-carboxamide
CID 3363056
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 1026200
N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
CID 4064538
N-hexyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 7271625
5-methyl-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 42783039
5-methyl-N-[3-oxo-3-(propylamino)propyl]-N-propylpyrazine-2-carboxamide
CID 4623539
N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 4253223
diethyl-[(4S)-4-[3-[(5-methylpyrazine-2-carbonyl)-propylamino]propanoylamino]pentyl]azanium
CID 7293187
N-[3-(ethoxyamino)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 4168241
N-benzyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 4307801

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide (CID 4174718) is 5-methyl-N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)N(CCC(=O)NC(C)C)CCN2CCOCC2)cn1.
What is the InChIKey of 5-methyl-N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide?
The InChIKey is TVKRLINYYACHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-14(2)21-17(24)4-5-23(7-6-22-8-10-26-11-9-22)18(25)16-13-19-15(3)12-20-16/h12-14H,4-11H2,1-3H3,(H,21,24).
What are the key properties of 5-methyl-N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide?
5-methyl-N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 0.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 4174718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).