N-[(4-chlorophenyl)methyl]-2-[6-chloro-4-(tritylamino)-3-pyridinyl]-2-iminoacetamide

C33H26Cl2N4O — CID 156793634

IUPACN-[(4-chlorophenyl)methyl]-2-[6-chloro-4-(tritylamino)-3-pyridinyl]-2-iminoacetamide
SMILES[H]/N=C(\C(=O)NCc1ccc(Cl)cc1)c1cnc(Cl)cc1NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H26Cl2N4O/c34-27-18-16-23(17-19-27)21-38-32(40)31(36)28-22-37-30(35)20-29(28)39-33(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-20,22,36H,21H2,(H,37,39)(H,38,40)/b36-31-
InChIKeyFRAMPISVPCVNLL-WWIWEHRJSA-N
MW565.50 g/mol
LogP7.48
Rot. Bonds9

About N-[(4-chlorophenyl)methyl]-2-[6-chloro-4-(tritylamino)-3-pyridinyl]-2-iminoacetamide

N-[(4-chlorophenyl)methyl]-2-[6-chloro-4-(tritylamino)-3-pyridinyl]-2-iminoacetamide (PubChem CID 156793634) has the molecular formula C33H26Cl2N4O and a molecular weight of 565.50 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[6-chloro-4-(tritylamino)-3-pyridinyl]-2-iminoacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[6-chloro-4-(tritylamino)-3-pyridinyl]-2-iminoacetamide
PubChem CID156793634
Molecular FormulaC33H26Cl2N4O
Molecular Weight565.50 g/mol
Exact Mass564.15
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[6-chloro-4-(tritylamino)-3-pyridinyl]-2-iminoacetamide
SMILES[H]/N=C(\C(=O)NCc1ccc(Cl)cc1)c1cnc(Cl)cc1NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H26Cl2N4O/c34-27-18-16-23(17-19-27)21-38-32(40)31(36)28-22-37-30(35)20-29(28)39-33(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-20,22,36H,21H2,(H,37,39)(H,38,40)/b36-31-
InChIKeyFRAMPISVPCVNLL-WWIWEHRJSA-N
XLogP7.48
TPSA77.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.50
LogP ≤ 57.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(4-chlorophenyl)methyl]-5-nitropyridine-4-carboxamide
CID 103730707
2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255380
N-[(4-chlorophenyl)methyl]-2-[3,6-dimethyl-2-(methylamino)phenyl]-2-iminoacetamide;ethane
CID 156793601
(Z)-4-(2-aminopyrimidin-5-yl)-N-[(4-chlorophenyl)methyl]-4-imino-2-methylbut-2-enamide
CID 145260347
(E)-N-benzyl-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enamide
CID 6995762
trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 887980
N-[(4-chlorophenyl)methyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50793889
N-[2-[amino-[(Z)-1-amino-3-methylbut-1-en-2-yl]amino]ethyl]-2-[2-[(4-chlorophenyl)methylamino]phenyl]-2-iminoacetamide
CID 166984738
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257576
methyl 2-[[2-[(4-chlorophenyl)methylamino]-2-oxoacetyl]amino]benzoate
CID 108507696
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085399
(E)-N-[(4-chlorophenyl)methyl]-2,3-diphenylprop-2-enamide
CID 6523064

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[6-chloro-4-(tritylamino)-3-pyridinyl]-2-iminoacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[6-chloro-4-(tritylamino)-3-pyridinyl]-2-iminoacetamide (CID 156793634) is N-[(4-chlorophenyl)methyl]-2-[6-chloro-4-(tritylamino)-3-pyridinyl]-2-iminoacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[6-chloro-4-(tritylamino)-3-pyridinyl]-2-iminoacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[6-chloro-4-(tritylamino)-3-pyridinyl]-2-iminoacetamide is [H]/N=C(\C(=O)NCc1ccc(Cl)cc1)c1cnc(Cl)cc1NC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[6-chloro-4-(tritylamino)-3-pyridinyl]-2-iminoacetamide?
The InChIKey is FRAMPISVPCVNLL-WWIWEHRJSA-N. The full InChI is InChI=1S/C33H26Cl2N4O/c34-27-18-16-23(17-19-27)21-38-32(40)31(36)28-22-37-30(35)20-29(28)39-33(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-20,22,36H,21H2,(H,37,39)(H,38,40)/b36-31-.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[6-chloro-4-(tritylamino)-3-pyridinyl]-2-iminoacetamide?
N-[(4-chlorophenyl)methyl]-2-[6-chloro-4-(tritylamino)-3-pyridinyl]-2-iminoacetamide has a molecular weight of 565.50 g/mol, XLogP of 7.48, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[6-chloro-4-(tritylamino)-3-pyridinyl]-2-iminoacetamide is sourced from PubChem (CID 156793634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).