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

C24H33N7O2 — CID 155748082

IUPACN-methanimidoyl-6-[3-[4-(oxan-4-ylamino)phenyl]-2-oxoimidazolidin-1-yl]-N-propan-2-ylpyridine-2-carboximidamide;molecular hydrogen
SMILES[H]/N=C(/c1cccc(N2CCN(c3ccc(NC4CCOCC4)cc3)C2=O)n1)N(/C=N/[H])C(C)C.[H][H]
InChIInChI=1S/C24H31N7O2.H2/c1-17(2)31(16-25)23(26)21-4-3-5-22(28-21)30-13-12-29(24(30)32)20-8-6-18(7-9-20)27-19-10-14-33-15-11-19;/h3-9,16-17,19,25-27H,10-15H2,1-2H3;1H/b25-16+,26-23-;
InChIKeyYDZGHCZMDYFIJK-ILGKTSEMSA-N
MW451.58 g/mol
LogP4.01
Rot. Bonds7

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

N-methanimidoyl-6-[3-[4-(oxan-4-ylamino)phenyl]-2-oxoimidazolidin-1-yl]-N-propan-2-ylpyridine-2-carboximidamide;molecular hydrogen (PubChem CID 155748082) has the molecular formula C24H33N7O2 and a molecular weight of 451.58 g/mol. Its IUPAC name is N-methanimidoyl-6-[3-[4-(oxan-4-ylamino)phenyl]-2-oxoimidazolidin-1-yl]-N-propan-2-ylpyridine-2-carboximidamide;molecular hydrogen.

Molecular Properties

Compound NameN-methanimidoyl-6-[3-[4-(oxan-4-ylamino)phenyl]-2-oxoimidazolidin-1-yl]-N-propan-2-ylpyridine-2-carboximidamide;molecular hydrogen
PubChem CID155748082
Molecular FormulaC24H33N7O2
Molecular Weight451.58 g/mol
Exact Mass451.27
IUPAC NameN-methanimidoyl-6-[3-[4-(oxan-4-ylamino)phenyl]-2-oxoimidazolidin-1-yl]-N-propan-2-ylpyridine-2-carboximidamide;molecular hydrogen
SMILES[H]/N=C(/c1cccc(N2CCN(c3ccc(NC4CCOCC4)cc3)C2=O)n1)N(/C=N/[H])C(C)C.[H][H]
InChIInChI=1S/C24H31N7O2.H2/c1-17(2)31(16-25)23(26)21-4-3-5-22(28-21)30-13-12-29(24(30)32)20-8-6-18(7-9-20)27-19-10-14-33-15-11-19;/h3-9,16-17,19,25-27H,10-15H2,1-2H3;1H/b25-16+,26-23-;
InChIKeyYDZGHCZMDYFIJK-ILGKTSEMSA-N
XLogP4.01
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.58
LogP ≤ 54.01
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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Related Compounds

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
N-methanimidoyl-6-[4-(methylaminomethyl)-6-(1-methylcyclopropyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-N-propan-2-ylpyridine-2-carboximidamide
CID 146610483
6-[6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-4-oxoquinazolin-3-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide
CID 166763673
N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-(pyrrolidine-1-carbonyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
CID 142483703
6-[7-(aminomethyl)-6-methoxy-3-oxo-1H-isoindol-2-yl]-N-butan-2-yl-N-methanimidoylpyridine-2-carboximidamide
CID 166830311
N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide
CID 142483504
N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-3-phenylmethoxybenzamide
CID 142442235
1-[4-(oxepan-4-ylamino)phenyl]pyrrolidin-2-one
CID 65081475
N-(4-ethylsulfonylphenyl)oxan-4-amine
CID 43610393
2-amino-1-[4-(oxan-4-ylamino)phenyl]ethanol
CID 83824446
6-[3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122054567
4-N,4-N-dimethyl-1-N-(oxan-4-yl)benzene-1,4-diamine
CID 43616833

Frequently Asked Questions

What is the IUPAC name of N-methanimidoyl-6-[3-[4-(oxan-4-ylamino)phenyl]-2-oxoimidazolidin-1-yl]-N-propan-2-ylpyridine-2-carboximidamide;molecular hydrogen?
The IUPAC name of N-methanimidoyl-6-[3-[4-(oxan-4-ylamino)phenyl]-2-oxoimidazolidin-1-yl]-N-propan-2-ylpyridine-2-carboximidamide;molecular hydrogen (CID 155748082) is N-methanimidoyl-6-[3-[4-(oxan-4-ylamino)phenyl]-2-oxoimidazolidin-1-yl]-N-propan-2-ylpyridine-2-carboximidamide;molecular hydrogen.
What is the SMILES notation for N-methanimidoyl-6-[3-[4-(oxan-4-ylamino)phenyl]-2-oxoimidazolidin-1-yl]-N-propan-2-ylpyridine-2-carboximidamide;molecular hydrogen?
The canonical SMILES for N-methanimidoyl-6-[3-[4-(oxan-4-ylamino)phenyl]-2-oxoimidazolidin-1-yl]-N-propan-2-ylpyridine-2-carboximidamide;molecular hydrogen is [H]/N=C(/c1cccc(N2CCN(c3ccc(NC4CCOCC4)cc3)C2=O)n1)N(/C=N/[H])C(C)C.[H][H].
What is the InChIKey of N-methanimidoyl-6-[3-[4-(oxan-4-ylamino)phenyl]-2-oxoimidazolidin-1-yl]-N-propan-2-ylpyridine-2-carboximidamide;molecular hydrogen?
The InChIKey is YDZGHCZMDYFIJK-ILGKTSEMSA-N. The full InChI is InChI=1S/C24H31N7O2.H2/c1-17(2)31(16-25)23(26)21-4-3-5-22(28-21)30-13-12-29(24(30)32)20-8-6-18(7-9-20)27-19-10-14-33-15-11-19;/h3-9,16-17,19,25-27H,10-15H2,1-2H3;1H/b25-16+,26-23-;.
What are the key properties of N-methanimidoyl-6-[3-[4-(oxan-4-ylamino)phenyl]-2-oxoimidazolidin-1-yl]-N-propan-2-ylpyridine-2-carboximidamide;molecular hydrogen?
N-methanimidoyl-6-[3-[4-(oxan-4-ylamino)phenyl]-2-oxoimidazolidin-1-yl]-N-propan-2-ylpyridine-2-carboximidamide;molecular hydrogen has a molecular weight of 451.58 g/mol, XLogP of 4.01, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methanimidoyl-6-[3-[4-(oxan-4-ylamino)phenyl]-2-oxoimidazolidin-1-yl]-N-propan-2-ylpyridine-2-carboximidamide;molecular hydrogen is sourced from PubChem (CID 155748082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).