N-methanimidoyl-6-(2-oxo-3-phenylimidazolidin-1-yl)-N-propan-2-ylpyridine-2-carboximidamide

C19H22N6O — CID 155748058

IUPACN-methanimidoyl-6-(2-oxo-3-phenylimidazolidin-1-yl)-N-propan-2-ylpyridine-2-carboximidamide
SMILES[H]/N=C(/c1cccc(N2CCN(c3ccccc3)C2=O)n1)N(/C=N/[H])C(C)C
InChIInChI=1S/C19H22N6O/c1-14(2)25(13-20)18(21)16-9-6-10-17(22-16)24-12-11-23(19(24)26)15-7-4-3-5-8-15/h3-10,13-14,20-21H,11-12H2,1-2H3/b20-13+,21-18-
InChIKeyHQSQMWRGKMEZAP-CQUPWJNVSA-N
MW350.43 g/mol
LogP3.17
Rot. Bonds5

About N-methanimidoyl-6-(2-oxo-3-phenylimidazolidin-1-yl)-N-propan-2-ylpyridine-2-carboximidamide

N-methanimidoyl-6-(2-oxo-3-phenylimidazolidin-1-yl)-N-propan-2-ylpyridine-2-carboximidamide (PubChem CID 155748058) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-methanimidoyl-6-(2-oxo-3-phenylimidazolidin-1-yl)-N-propan-2-ylpyridine-2-carboximidamide.

Molecular Properties

Compound NameN-methanimidoyl-6-(2-oxo-3-phenylimidazolidin-1-yl)-N-propan-2-ylpyridine-2-carboximidamide
PubChem CID155748058
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-methanimidoyl-6-(2-oxo-3-phenylimidazolidin-1-yl)-N-propan-2-ylpyridine-2-carboximidamide
SMILES[H]/N=C(/c1cccc(N2CCN(c3ccccc3)C2=O)n1)N(/C=N/[H])C(C)C
InChIInChI=1S/C19H22N6O/c1-14(2)25(13-20)18(21)16-9-6-10-17(22-16)24-12-11-23(19(24)26)15-7-4-3-5-8-15/h3-10,13-14,20-21H,11-12H2,1-2H3/b20-13+,21-18-
InChIKeyHQSQMWRGKMEZAP-CQUPWJNVSA-N
XLogP3.17
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-methanimidoyl-6-(2-oxo-3-phenylimidazolidin-1-yl)-N-propan-2-ylpyridine-2-carboximidamide?
The IUPAC name of N-methanimidoyl-6-(2-oxo-3-phenylimidazolidin-1-yl)-N-propan-2-ylpyridine-2-carboximidamide (CID 155748058) is N-methanimidoyl-6-(2-oxo-3-phenylimidazolidin-1-yl)-N-propan-2-ylpyridine-2-carboximidamide.
What is the SMILES notation for N-methanimidoyl-6-(2-oxo-3-phenylimidazolidin-1-yl)-N-propan-2-ylpyridine-2-carboximidamide?
The canonical SMILES for N-methanimidoyl-6-(2-oxo-3-phenylimidazolidin-1-yl)-N-propan-2-ylpyridine-2-carboximidamide is [H]/N=C(/c1cccc(N2CCN(c3ccccc3)C2=O)n1)N(/C=N/[H])C(C)C.
What is the InChIKey of N-methanimidoyl-6-(2-oxo-3-phenylimidazolidin-1-yl)-N-propan-2-ylpyridine-2-carboximidamide?
The InChIKey is HQSQMWRGKMEZAP-CQUPWJNVSA-N. The full InChI is InChI=1S/C19H22N6O/c1-14(2)25(13-20)18(21)16-9-6-10-17(22-16)24-12-11-23(19(24)26)15-7-4-3-5-8-15/h3-10,13-14,20-21H,11-12H2,1-2H3/b20-13+,21-18-.
What are the key properties of N-methanimidoyl-6-(2-oxo-3-phenylimidazolidin-1-yl)-N-propan-2-ylpyridine-2-carboximidamide?
N-methanimidoyl-6-(2-oxo-3-phenylimidazolidin-1-yl)-N-propan-2-ylpyridine-2-carboximidamide has a molecular weight of 350.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methanimidoyl-6-(2-oxo-3-phenylimidazolidin-1-yl)-N-propan-2-ylpyridine-2-carboximidamide is sourced from PubChem (CID 155748058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).