N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-3-phenylmethoxybenzamide

C24H25N5O2 — CID 142442235

IUPACN-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-3-phenylmethoxybenzamide
SMILES[H]/N=C(/c1cccc(NC(=O)c2cccc(OCc3ccccc3)c2)n1)N(/C=N/[H])C(C)C
InChIInChI=1S/C24H25N5O2/c1-17(2)29(16-25)23(26)21-12-7-13-22(27-21)28-24(30)19-10-6-11-20(14-19)31-15-18-8-4-3-5-9-18/h3-14,16-17,25-26H,15H2,1-2H3,(H,27,28,30)/b25-16+,26-23-
InChIKeyNAQSDGIVKTUYFY-IYLGLBRYSA-N
MW415.50 g/mol
LogP4.56
Rot. Bonds8

About N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-3-phenylmethoxybenzamide

N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-3-phenylmethoxybenzamide (PubChem CID 142442235) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-3-phenylmethoxybenzamide
PubChem CID142442235
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-3-phenylmethoxybenzamide
SMILES[H]/N=C(/c1cccc(NC(=O)c2cccc(OCc3ccccc3)c2)n1)N(/C=N/[H])C(C)C
InChIInChI=1S/C24H25N5O2/c1-17(2)29(16-25)23(26)21-12-7-13-22(27-21)28-24(30)19-10-6-11-20(14-19)31-15-18-8-4-3-5-9-18/h3-14,16-17,25-26H,15H2,1-2H3,(H,27,28,30)/b25-16+,26-23-
InChIKeyNAQSDGIVKTUYFY-IYLGLBRYSA-N
XLogP4.56
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[6-(dimethylamino)-3-pyridinyl]-3-phenylmethoxybenzamide
CID 30271698
N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide
CID 17148534
N-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide
CID 23733067
N-[4-[(2R)-butan-2-yl]phenyl]-3-phenylmethoxybenzamide
CID 8778703
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
N-(6-methyl-2-pyridinyl)-4-phenylmethoxybenzamide
CID 35036020
N-(2-ethylphenyl)-3-phenylmethoxybenzamide
CID 801132
N-(3,4-dichlorophenyl)-3-phenylmethoxybenzamide
CID 17148514
N-[2-(methylamino)propyl]-3-phenylmethoxybenzamide
CID 120833158
N-(3-hydroxybutyl)-3-phenylmethoxybenzamide
CID 111433563
2-[2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]phenyl]acetic acid
CID 66912833
N-(3-aminobutyl)-3-phenylmethoxybenzamide;hydrochloride
CID 119497996

Frequently Asked Questions

What is the IUPAC name of N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-3-phenylmethoxybenzamide?
The IUPAC name of N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-3-phenylmethoxybenzamide (CID 142442235) is N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-3-phenylmethoxybenzamide.
What is the SMILES notation for N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-3-phenylmethoxybenzamide?
The canonical SMILES for N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-3-phenylmethoxybenzamide is [H]/N=C(/c1cccc(NC(=O)c2cccc(OCc3ccccc3)c2)n1)N(/C=N/[H])C(C)C.
What is the InChIKey of N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-3-phenylmethoxybenzamide?
The InChIKey is NAQSDGIVKTUYFY-IYLGLBRYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-17(2)29(16-25)23(26)21-12-7-13-22(27-21)28-24(30)19-10-6-11-20(14-19)31-15-18-8-4-3-5-9-18/h3-14,16-17,25-26H,15H2,1-2H3,(H,27,28,30)/b25-16+,26-23-.
What are the key properties of N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-3-phenylmethoxybenzamide?
N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-3-phenylmethoxybenzamide has a molecular weight of 415.50 g/mol, XLogP of 4.56, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-3-phenylmethoxybenzamide is sourced from PubChem (CID 142442235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).