5-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]-1H-imidazole-4-carboxamide

C16H22N6O3 — CID 56891619

IUPAC5-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]-1H-imidazole-4-carboxamide
SMILESCc1[nH]cnc1C(=O)NCCC1CN(c2cnn(C)c(=O)c2)CCO1
InChIInChI=1S/C16H22N6O3/c1-11-15(19-10-18-11)16(24)17-4-3-13-9-22(5-6-25-13)12-7-14(23)21(2)20-8-12/h7-8,10,13H,3-6,9H2,1-2H3,(H,17,24)(H,18,19)
InChIKeyHHKLGCTXOJFDBB-UHFFFAOYSA-N
MW346.39 g/mol
LogP-0.16
Rot. Bonds5

About 5-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]-1H-imidazole-4-carboxamide

5-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]-1H-imidazole-4-carboxamide (PubChem CID 56891619) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]-1H-imidazole-4-carboxamide
PubChem CID56891619
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC Name5-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]-1H-imidazole-4-carboxamide
SMILESCc1[nH]cnc1C(=O)NCCC1CN(c2cnn(C)c(=O)c2)CCO1
InChIInChI=1S/C16H22N6O3/c1-11-15(19-10-18-11)16(24)17-4-3-13-9-22(5-6-25-13)12-7-14(23)21(2)20-8-12/h7-8,10,13H,3-6,9H2,1-2H3,(H,17,24)(H,18,19)
InChIKeyHHKLGCTXOJFDBB-UHFFFAOYSA-N
XLogP-0.16
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]-1H-imidazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]-1H-imidazole-4-carboxamide (CID 56891619) is 5-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]-1H-imidazole-4-carboxamide is Cc1[nH]cnc1C(=O)NCCC1CN(c2cnn(C)c(=O)c2)CCO1.
What is the InChIKey of 5-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]-1H-imidazole-4-carboxamide?
The InChIKey is HHKLGCTXOJFDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3/c1-11-15(19-10-18-11)16(24)17-4-3-13-9-22(5-6-25-13)12-7-14(23)21(2)20-8-12/h7-8,10,13H,3-6,9H2,1-2H3,(H,17,24)(H,18,19).
What are the key properties of 5-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]-1H-imidazole-4-carboxamide?
5-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]-1H-imidazole-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]-1H-imidazole-4-carboxamide is sourced from PubChem (CID 56891619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).