N-methanimidoyl-6-[2-oxo-3-[4-[3-(propan-2-ylamino)azetidin-1-yl]phenyl]imidazolidin-1-yl]-N-propan-2-ylpyridine-2-carboximidamide;molecular hydrogen

C25H36N8O — CID 155748009

IUPACN-methanimidoyl-6-[2-oxo-3-[4-[3-(propan-2-ylamino)azetidin-1-yl]phenyl]imidazolidin-1-yl]-N-propan-2-ylpyridine-2-carboximidamide;molecular hydrogen
SMILES[H]/N=C(/c1cccc(N2CCN(c3ccc(N4CC(NC(C)C)C4)cc3)C2=O)n1)N(/C=N/[H])C(C)C.[H][H]
InChIInChI=1S/C25H34N8O.H2/c1-17(2)28-19-14-30(15-19)20-8-10-21(11-9-20)31-12-13-32(25(31)34)23-7-5-6-22(29-23)24(27)33(16-26)18(3)4;/h5-11,16-19,26-28H,12-15H2,1-4H3;1H/b26-16+,27-24-;
InChIKeyPNDLIMKNWWPOGF-JQXCEASUSA-N
MW464.62 g/mol
LogP3.60
Rot. Bonds8

About N-methanimidoyl-6-[2-oxo-3-[4-[3-(propan-2-ylamino)azetidin-1-yl]phenyl]imidazolidin-1-yl]-N-propan-2-ylpyridine-2-carboximidamide;molecular hydrogen

N-methanimidoyl-6-[2-oxo-3-[4-[3-(propan-2-ylamino)azetidin-1-yl]phenyl]imidazolidin-1-yl]-N-propan-2-ylpyridine-2-carboximidamide;molecular hydrogen (PubChem CID 155748009) has the molecular formula C25H36N8O and a molecular weight of 464.62 g/mol. Its IUPAC name is N-methanimidoyl-6-[2-oxo-3-[4-[3-(propan-2-ylamino)azetidin-1-yl]phenyl]imidazolidin-1-yl]-N-propan-2-ylpyridine-2-carboximidamide;molecular hydrogen.

Molecular Properties

Compound NameN-methanimidoyl-6-[2-oxo-3-[4-[3-(propan-2-ylamino)azetidin-1-yl]phenyl]imidazolidin-1-yl]-N-propan-2-ylpyridine-2-carboximidamide;molecular hydrogen
PubChem CID155748009
Molecular FormulaC25H36N8O
Molecular Weight464.62 g/mol
Exact Mass464.30
IUPAC NameN-methanimidoyl-6-[2-oxo-3-[4-[3-(propan-2-ylamino)azetidin-1-yl]phenyl]imidazolidin-1-yl]-N-propan-2-ylpyridine-2-carboximidamide;molecular hydrogen
SMILES[H]/N=C(/c1cccc(N2CCN(c3ccc(N4CC(NC(C)C)C4)cc3)C2=O)n1)N(/C=N/[H])C(C)C.[H][H]
InChIInChI=1S/C25H34N8O.H2/c1-17(2)28-19-14-30(15-19)20-8-10-21(11-9-20)31-12-13-32(25(31)34)23-7-5-6-22(29-23)24(27)33(16-26)18(3)4;/h5-11,16-19,26-28H,12-15H2,1-4H3;1H/b26-16+,27-24-;
InChIKeyPNDLIMKNWWPOGF-JQXCEASUSA-N
XLogP3.60
TPSA102.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.62
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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 N-methanimidoyl-6-[2-oxo-3-[4-[3-(propan-2-ylamino)azetidin-1-yl]phenyl]imidazolidin-1-yl]-N-propan-2-ylpyridine-2-carboximidamide;molecular hydrogen?
The IUPAC name of N-methanimidoyl-6-[2-oxo-3-[4-[3-(propan-2-ylamino)azetidin-1-yl]phenyl]imidazolidin-1-yl]-N-propan-2-ylpyridine-2-carboximidamide;molecular hydrogen (CID 155748009) is N-methanimidoyl-6-[2-oxo-3-[4-[3-(propan-2-ylamino)azetidin-1-yl]phenyl]imidazolidin-1-yl]-N-propan-2-ylpyridine-2-carboximidamide;molecular hydrogen.
What is the SMILES notation for N-methanimidoyl-6-[2-oxo-3-[4-[3-(propan-2-ylamino)azetidin-1-yl]phenyl]imidazolidin-1-yl]-N-propan-2-ylpyridine-2-carboximidamide;molecular hydrogen?
The canonical SMILES for N-methanimidoyl-6-[2-oxo-3-[4-[3-(propan-2-ylamino)azetidin-1-yl]phenyl]imidazolidin-1-yl]-N-propan-2-ylpyridine-2-carboximidamide;molecular hydrogen is [H]/N=C(/c1cccc(N2CCN(c3ccc(N4CC(NC(C)C)C4)cc3)C2=O)n1)N(/C=N/[H])C(C)C.[H][H].
What is the InChIKey of N-methanimidoyl-6-[2-oxo-3-[4-[3-(propan-2-ylamino)azetidin-1-yl]phenyl]imidazolidin-1-yl]-N-propan-2-ylpyridine-2-carboximidamide;molecular hydrogen?
The InChIKey is PNDLIMKNWWPOGF-JQXCEASUSA-N. The full InChI is InChI=1S/C25H34N8O.H2/c1-17(2)28-19-14-30(15-19)20-8-10-21(11-9-20)31-12-13-32(25(31)34)23-7-5-6-22(29-23)24(27)33(16-26)18(3)4;/h5-11,16-19,26-28H,12-15H2,1-4H3;1H/b26-16+,27-24-;.
What are the key properties of N-methanimidoyl-6-[2-oxo-3-[4-[3-(propan-2-ylamino)azetidin-1-yl]phenyl]imidazolidin-1-yl]-N-propan-2-ylpyridine-2-carboximidamide;molecular hydrogen?
N-methanimidoyl-6-[2-oxo-3-[4-[3-(propan-2-ylamino)azetidin-1-yl]phenyl]imidazolidin-1-yl]-N-propan-2-ylpyridine-2-carboximidamide;molecular hydrogen has a molecular weight of 464.62 g/mol, XLogP of 3.60, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methanimidoyl-6-[2-oxo-3-[4-[3-(propan-2-ylamino)azetidin-1-yl]phenyl]imidazolidin-1-yl]-N-propan-2-ylpyridine-2-carboximidamide;molecular hydrogen is sourced from PubChem (CID 155748009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).