azane;N-[2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]pyridine-4-carboxamide

C28H31N5O2 — CID 175569043

IUPACazane;N-[2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]pyridine-4-carboxamide
SMILESCOc1nc(-c2cccc(-c3ccccc3)c2C)ccc1CNCCNC(=O)c1ccncc1.N
InChIInChI=1S/C28H28N4O2.H3N/c1-20-24(21-7-4-3-5-8-21)9-6-10-25(20)26-12-11-23(28(32-26)34-2)19-30-17-18-31-27(33)22-13-15-29-16-14-22;/h3-16,30H,17-19H2,1-2H3,(H,31,33);1H3
InChIKeyPWKUMXANUDGZJG-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.81
Rot. Bonds9

About azane;N-[2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]pyridine-4-carboxamide

azane;N-[2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]pyridine-4-carboxamide (PubChem CID 175569043) has the molecular formula C28H31N5O2 and a molecular weight of 469.59 g/mol. Its IUPAC name is azane;N-[2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Nameazane;N-[2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]pyridine-4-carboxamide
PubChem CID175569043
Molecular FormulaC28H31N5O2
Molecular Weight469.59 g/mol
Exact Mass469.25
IUPAC Nameazane;N-[2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]pyridine-4-carboxamide
SMILESCOc1nc(-c2cccc(-c3ccccc3)c2C)ccc1CNCCNC(=O)c1ccncc1.N
InChIInChI=1S/C28H28N4O2.H3N/c1-20-24(21-7-4-3-5-8-21)9-6-10-25(20)26-12-11-23(28(32-26)34-2)19-30-17-18-31-27(33)22-13-15-29-16-14-22;/h3-16,30H,17-19H2,1-2H3,(H,31,33);1H3
InChIKeyPWKUMXANUDGZJG-UHFFFAOYSA-N
XLogP4.81
TPSA111.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze azane;N-[2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]pyridazine-3-carboxamide
CID 177374926
2-[[6-[3-[3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol
CID 146206787
N-[(2-phenylphenyl)methyl]pyridine-4-carboxamide
CID 23497805
3-hydroxy-2-[[2-methoxy-6-[2-(2-methyl-3-phenylphenyl)ethenyl]-3-pyridinyl]methylamino]propanoic acid
CID 138606872
N-(3-aminopropyl)acetamide;deuterio(fluoro)methane;2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]pyridine-3-carbaldehyde;N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide;hydrochloride
CID 159051568
4-[2-chloro-6-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-4-methyl-3-pyridinyl]butan-1-ol
CID 160806245
4-[6-[3-[3-[5-[(2-carbamoyloxyethylamino)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]butyl carbamate
CID 161093361
N-[2-(2-chloro-4-methoxyphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110789764
N-[2-[(4-methoxyphenyl)methylamino]ethyl]pyridine-3-carboxamide
CID 4238549
2-[[4-[6-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]-5-methoxypyrimidin-4-yl]-2-methoxyphenyl]methylamino]ethanol
CID 170696903
4-methyl-N-[2-[(2-methylphenyl)methylamino]ethyl]benzamide
CID 60964888
N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434

Frequently Asked Questions

What is the IUPAC name of azane;N-[2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]pyridine-4-carboxamide?
The IUPAC name of azane;N-[2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]pyridine-4-carboxamide (CID 175569043) is azane;N-[2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for azane;N-[2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]pyridine-4-carboxamide?
The canonical SMILES for azane;N-[2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]pyridine-4-carboxamide is COc1nc(-c2cccc(-c3ccccc3)c2C)ccc1CNCCNC(=O)c1ccncc1.N.
What is the InChIKey of azane;N-[2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]pyridine-4-carboxamide?
The InChIKey is PWKUMXANUDGZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2.H3N/c1-20-24(21-7-4-3-5-8-21)9-6-10-25(20)26-12-11-23(28(32-26)34-2)19-30-17-18-31-27(33)22-13-15-29-16-14-22;/h3-16,30H,17-19H2,1-2H3,(H,31,33);1H3.
What are the key properties of azane;N-[2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]pyridine-4-carboxamide?
azane;N-[2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]pyridine-4-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 4.81, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-[2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 175569043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).