N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-methyl-2-oxopyridine-3-carboxamide

C18H21N7O2 — CID 122328666

IUPACN-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCc1ncn(-c2cc(NCCNC(=O)c3cccn(C)c3=O)ncn2)c1C
InChIInChI=1S/C18H21N7O2/c1-12-13(2)25(11-23-12)16-9-15(21-10-22-16)19-6-7-20-17(26)14-5-4-8-24(3)18(14)27/h4-5,8-11H,6-7H2,1-3H3,(H,20,26)(H,19,21,22)
InChIKeyXGVITXZBVXSOCC-UHFFFAOYSA-N
MW367.41 g/mol
LogP0.82
Rot. Bonds6

About N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-methyl-2-oxopyridine-3-carboxamide

N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 122328666) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID122328666
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC NameN-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCc1ncn(-c2cc(NCCNC(=O)c3cccn(C)c3=O)ncn2)c1C
InChIInChI=1S/C18H21N7O2/c1-12-13(2)25(11-23-12)16-9-15(21-10-22-16)19-6-7-20-17(26)14-5-4-8-24(3)18(14)27/h4-5,8-11H,6-7H2,1-3H3,(H,20,26)(H,19,21,22)
InChIKeyXGVITXZBVXSOCC-UHFFFAOYSA-N
XLogP0.82
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 122328666) is N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-methyl-2-oxopyridine-3-carboxamide is Cc1ncn(-c2cc(NCCNC(=O)c3cccn(C)c3=O)ncn2)c1C.
What is the InChIKey of N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is XGVITXZBVXSOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-12-13(2)25(11-23-12)16-9-15(21-10-22-16)19-6-7-20-17(26)14-5-4-8-24(3)18(14)27/h4-5,8-11H,6-7H2,1-3H3,(H,20,26)(H,19,21,22).
What are the key properties of N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 122328666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).