5-[3-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylpyridine-2-carboxamide

C20H24N8O2 — CID 155748063

IUPAC5-[3-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylpyridine-2-carboxamide
SMILES[H]/N=C(/c1cccc(N2CCN(c3ccc(C(=O)NC)nc3)C2=O)n1)N(/C=N/[H])C(C)C
InChIInChI=1S/C20H24N8O2/c1-13(2)28(12-21)18(22)15-5-4-6-17(25-15)27-10-9-26(20(27)30)14-7-8-16(24-11-14)19(29)23-3/h4-8,11-13,21-22H,9-10H2,1-3H3,(H,23,29)/b21-12+,22-18-
InChIKeyKCRWOKFPBVWKRD-DFLYITSRSA-N
MW408.47 g/mol
LogP1.93
Rot. Bonds6

About 5-[3-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylpyridine-2-carboxamide

5-[3-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 155748063) has the molecular formula C20H24N8O2 and a molecular weight of 408.47 g/mol. Its IUPAC name is 5-[3-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID155748063
Molecular FormulaC20H24N8O2
Molecular Weight408.47 g/mol
Exact Mass408.20
IUPAC Name5-[3-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylpyridine-2-carboxamide
SMILES[H]/N=C(/c1cccc(N2CCN(c3ccc(C(=O)NC)nc3)C2=O)n1)N(/C=N/[H])C(C)C
InChIInChI=1S/C20H24N8O2/c1-13(2)28(12-21)18(22)15-5-4-6-17(25-15)27-10-9-26(20(27)30)14-7-8-16(24-11-14)19(29)23-3/h4-8,11-13,21-22H,9-10H2,1-3H3,(H,23,29)/b21-12+,22-18-
InChIKeyKCRWOKFPBVWKRD-DFLYITSRSA-N
XLogP1.93
TPSA129.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[3-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylpyridine-2-carboxamide (CID 155748063) is 5-[3-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[3-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[3-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylpyridine-2-carboxamide is [H]/N=C(/c1cccc(N2CCN(c3ccc(C(=O)NC)nc3)C2=O)n1)N(/C=N/[H])C(C)C.
What is the InChIKey of 5-[3-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is KCRWOKFPBVWKRD-DFLYITSRSA-N. The full InChI is InChI=1S/C20H24N8O2/c1-13(2)28(12-21)18(22)15-5-4-6-17(25-15)27-10-9-26(20(27)30)14-7-8-16(24-11-14)19(29)23-3/h4-8,11-13,21-22H,9-10H2,1-3H3,(H,23,29)/b21-12+,22-18-.
What are the key properties of 5-[3-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylpyridine-2-carboxamide?
5-[3-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 408.47 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 155748063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).