N-[2-[4-[[amino-[(Z)-2-amino-2-pyridin-3-ylethenyl]amino]methyl]phenyl]ethyl]-2-phenylbenzamide

C29H29N5O — CID 130241452

IUPACN-[2-[4-[[amino-[(Z)-2-amino-2-pyridin-3-ylethenyl]amino]methyl]phenyl]ethyl]-2-phenylbenzamide
SMILESN/C(=C\N(N)Cc1ccc(CCNC(=O)c2ccccc2-c2ccccc2)cc1)c1cccnc1
InChIInChI=1S/C29H29N5O/c30-28(25-9-6-17-32-19-25)21-34(31)20-23-14-12-22(13-15-23)16-18-33-29(35)27-11-5-4-10-26(27)24-7-2-1-3-8-24/h1-15,17,19,21H,16,18,20,30-31H2,(H,33,35)/b28-21-
InChIKeyGVLWBEYABOXICA-HFTWOUSFSA-N
MW463.59 g/mol
LogP4.35
Rot. Bonds9

About N-[2-[4-[[amino-[(Z)-2-amino-2-pyridin-3-ylethenyl]amino]methyl]phenyl]ethyl]-2-phenylbenzamide

N-[2-[4-[[amino-[(Z)-2-amino-2-pyridin-3-ylethenyl]amino]methyl]phenyl]ethyl]-2-phenylbenzamide (PubChem CID 130241452) has the molecular formula C29H29N5O and a molecular weight of 463.59 g/mol. Its IUPAC name is N-[2-[4-[[amino-[(Z)-2-amino-2-pyridin-3-ylethenyl]amino]methyl]phenyl]ethyl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-[2-[4-[[amino-[(Z)-2-amino-2-pyridin-3-ylethenyl]amino]methyl]phenyl]ethyl]-2-phenylbenzamide
PubChem CID130241452
Molecular FormulaC29H29N5O
Molecular Weight463.59 g/mol
Exact Mass463.24
IUPAC NameN-[2-[4-[[amino-[(Z)-2-amino-2-pyridin-3-ylethenyl]amino]methyl]phenyl]ethyl]-2-phenylbenzamide
SMILESN/C(=C\N(N)Cc1ccc(CCNC(=O)c2ccccc2-c2ccccc2)cc1)c1cccnc1
InChIInChI=1S/C29H29N5O/c30-28(25-9-6-17-32-19-25)21-34(31)20-23-14-12-22(13-15-23)16-18-33-29(35)27-11-5-4-10-26(27)24-7-2-1-3-8-24/h1-15,17,19,21H,16,18,20,30-31H2,(H,33,35)/b28-21-
InChIKeyGVLWBEYABOXICA-HFTWOUSFSA-N
XLogP4.35
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethyl]benzamide
CID 86305276
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CID 4922676
N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796236
N-[2-(2-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 67172955
4-[2-[7-(4-pyridin-3-yltriazol-1-yl)heptylcarbamoyl]phenyl]benzoic acid
CID 86305819
N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4107904
3-methyl-N-[2-(2-phenylphenyl)ethyl]pyridine-4-carboxamide
CID 91120508
N-[2-(dimethylamino)ethyl]-3-phenylpyridine-4-carboxamide
CID 91804668
N-benzylpyridine-3-carbohydrazide;hydrochloride
CID 173445045
N-[[4-(hydroxycarbamoyl)-3-phenylphenyl]methyl]pyridine-3-carboxamide
CID 164543754
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-phenylpyridine-3-carboxamide
CID 91184668
N-(2-phenylethyl)-4-pyridin-3-yl-1-benzofuran-7-carboxamide
CID 46944079

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[amino-[(Z)-2-amino-2-pyridin-3-ylethenyl]amino]methyl]phenyl]ethyl]-2-phenylbenzamide?
The IUPAC name of N-[2-[4-[[amino-[(Z)-2-amino-2-pyridin-3-ylethenyl]amino]methyl]phenyl]ethyl]-2-phenylbenzamide (CID 130241452) is N-[2-[4-[[amino-[(Z)-2-amino-2-pyridin-3-ylethenyl]amino]methyl]phenyl]ethyl]-2-phenylbenzamide.
What is the SMILES notation for N-[2-[4-[[amino-[(Z)-2-amino-2-pyridin-3-ylethenyl]amino]methyl]phenyl]ethyl]-2-phenylbenzamide?
The canonical SMILES for N-[2-[4-[[amino-[(Z)-2-amino-2-pyridin-3-ylethenyl]amino]methyl]phenyl]ethyl]-2-phenylbenzamide is N/C(=C\N(N)Cc1ccc(CCNC(=O)c2ccccc2-c2ccccc2)cc1)c1cccnc1.
What is the InChIKey of N-[2-[4-[[amino-[(Z)-2-amino-2-pyridin-3-ylethenyl]amino]methyl]phenyl]ethyl]-2-phenylbenzamide?
The InChIKey is GVLWBEYABOXICA-HFTWOUSFSA-N. The full InChI is InChI=1S/C29H29N5O/c30-28(25-9-6-17-32-19-25)21-34(31)20-23-14-12-22(13-15-23)16-18-33-29(35)27-11-5-4-10-26(27)24-7-2-1-3-8-24/h1-15,17,19,21H,16,18,20,30-31H2,(H,33,35)/b28-21-.
What are the key properties of N-[2-[4-[[amino-[(Z)-2-amino-2-pyridin-3-ylethenyl]amino]methyl]phenyl]ethyl]-2-phenylbenzamide?
N-[2-[4-[[amino-[(Z)-2-amino-2-pyridin-3-ylethenyl]amino]methyl]phenyl]ethyl]-2-phenylbenzamide has a molecular weight of 463.59 g/mol, XLogP of 4.35, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[amino-[(Z)-2-amino-2-pyridin-3-ylethenyl]amino]methyl]phenyl]ethyl]-2-phenylbenzamide is sourced from PubChem (CID 130241452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).