N-[3-[5-(5-benzyl-3-pyridinyl)-2-methylphenyl]-3-methyliminoprop-1-en-2-yl]-2-piperidin-1-ylpyridin-4-amine

C33H35N5 — CID 144929366

IUPACN-[3-[5-(5-benzyl-3-pyridinyl)-2-methylphenyl]-3-methyliminoprop-1-en-2-yl]-2-piperidin-1-ylpyridin-4-amine
SMILESC=C(Nc1ccnc(N2CCCCC2)c1)/C(=N\C)c1cc(-c2cncc(Cc3ccccc3)c2)ccc1C
InChIInChI=1S/C33H35N5/c1-24-12-13-28(29-19-27(22-35-23-29)18-26-10-6-4-7-11-26)20-31(24)33(34-3)25(2)37-30-14-15-36-32(21-30)38-16-8-5-9-17-38/h4,6-7,10-15,19-23H,2,5,8-9,16-18H2,1,3H3,(H,36,37)/b34-33+
InChIKeyRYOAZWYXGPVKQE-JEIPZWNWSA-N
MW501.68 g/mol
LogP7.08
Rot. Bonds8

About N-[3-[5-(5-benzyl-3-pyridinyl)-2-methylphenyl]-3-methyliminoprop-1-en-2-yl]-2-piperidin-1-ylpyridin-4-amine

N-[3-[5-(5-benzyl-3-pyridinyl)-2-methylphenyl]-3-methyliminoprop-1-en-2-yl]-2-piperidin-1-ylpyridin-4-amine (PubChem CID 144929366) has the molecular formula C33H35N5 and a molecular weight of 501.68 g/mol. Its IUPAC name is N-[3-[5-(5-benzyl-3-pyridinyl)-2-methylphenyl]-3-methyliminoprop-1-en-2-yl]-2-piperidin-1-ylpyridin-4-amine.

Molecular Properties

Compound NameN-[3-[5-(5-benzyl-3-pyridinyl)-2-methylphenyl]-3-methyliminoprop-1-en-2-yl]-2-piperidin-1-ylpyridin-4-amine
PubChem CID144929366
Molecular FormulaC33H35N5
Molecular Weight501.68 g/mol
Exact Mass501.29
IUPAC NameN-[3-[5-(5-benzyl-3-pyridinyl)-2-methylphenyl]-3-methyliminoprop-1-en-2-yl]-2-piperidin-1-ylpyridin-4-amine
SMILESC=C(Nc1ccnc(N2CCCCC2)c1)/C(=N\C)c1cc(-c2cncc(Cc3ccccc3)c2)ccc1C
InChIInChI=1S/C33H35N5/c1-24-12-13-28(29-19-27(22-35-23-29)18-26-10-6-4-7-11-26)20-31(24)33(34-3)25(2)37-30-14-15-36-32(21-30)38-16-8-5-9-17-38/h4,6-7,10-15,19-23H,2,5,8-9,16-18H2,1,3H3,(H,36,37)/b34-33+
InChIKeyRYOAZWYXGPVKQE-JEIPZWNWSA-N
XLogP7.08
TPSA53.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.68
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-2-methylphenyl]-3-iminoprop-1-en-2-yl]-6-methylpyridin-3-amine
CID 144929350
N-[2-(azetidin-1-yl)-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381971
2-methyl-1-(2-phenylethyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111134998
N-[3-imino-3-[2-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]prop-1-en-2-yl]-6-(1-pyrrolidin-1-ylethenyl)pyridin-3-amine
CID 142333605
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(azetidin-1-yl)-4-pyridinyl]-1H-indazole-3-carboxamide
CID 118382339
1-[2-(azepan-1-yl)-4-pyridinyl]-N-[(2-methylphenyl)methyl]methanamine
CID 163367035
1-[2-(2-chlorophenyl)ethyl]-2-methyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]guanidine
CID 111883211
1-[(2,4-dimethylphenyl)methyl]-2-methyl-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine
CID 111937541
N-(5-benzyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89444849
6-[1-(cyclopentylamino)ethenyl]-N-[3-imino-3-[2-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]prop-1-en-2-yl]pyridin-3-amine
CID 142333169
N-(2-piperidin-1-yl-4-pyridinyl)pyrrolidine-1-carboxamide
CID 155954671
1-[(2-chlorophenyl)methyl]-2-methyl-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine
CID 111174635

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(5-benzyl-3-pyridinyl)-2-methylphenyl]-3-methyliminoprop-1-en-2-yl]-2-piperidin-1-ylpyridin-4-amine?
The IUPAC name of N-[3-[5-(5-benzyl-3-pyridinyl)-2-methylphenyl]-3-methyliminoprop-1-en-2-yl]-2-piperidin-1-ylpyridin-4-amine (CID 144929366) is N-[3-[5-(5-benzyl-3-pyridinyl)-2-methylphenyl]-3-methyliminoprop-1-en-2-yl]-2-piperidin-1-ylpyridin-4-amine.
What is the SMILES notation for N-[3-[5-(5-benzyl-3-pyridinyl)-2-methylphenyl]-3-methyliminoprop-1-en-2-yl]-2-piperidin-1-ylpyridin-4-amine?
The canonical SMILES for N-[3-[5-(5-benzyl-3-pyridinyl)-2-methylphenyl]-3-methyliminoprop-1-en-2-yl]-2-piperidin-1-ylpyridin-4-amine is C=C(Nc1ccnc(N2CCCCC2)c1)/C(=N\C)c1cc(-c2cncc(Cc3ccccc3)c2)ccc1C.
What is the InChIKey of N-[3-[5-(5-benzyl-3-pyridinyl)-2-methylphenyl]-3-methyliminoprop-1-en-2-yl]-2-piperidin-1-ylpyridin-4-amine?
The InChIKey is RYOAZWYXGPVKQE-JEIPZWNWSA-N. The full InChI is InChI=1S/C33H35N5/c1-24-12-13-28(29-19-27(22-35-23-29)18-26-10-6-4-7-11-26)20-31(24)33(34-3)25(2)37-30-14-15-36-32(21-30)38-16-8-5-9-17-38/h4,6-7,10-15,19-23H,2,5,8-9,16-18H2,1,3H3,(H,36,37)/b34-33+.
What are the key properties of N-[3-[5-(5-benzyl-3-pyridinyl)-2-methylphenyl]-3-methyliminoprop-1-en-2-yl]-2-piperidin-1-ylpyridin-4-amine?
N-[3-[5-(5-benzyl-3-pyridinyl)-2-methylphenyl]-3-methyliminoprop-1-en-2-yl]-2-piperidin-1-ylpyridin-4-amine has a molecular weight of 501.68 g/mol, XLogP of 7.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(5-benzyl-3-pyridinyl)-2-methylphenyl]-3-methyliminoprop-1-en-2-yl]-2-piperidin-1-ylpyridin-4-amine is sourced from PubChem (CID 144929366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).