2-naphthalen-2-yl-4-pyridin-4-yl-2-(2-pyridin-4-ylethylamino)butanamide

C26H26N4O — CID 142792470

IUPAC2-naphthalen-2-yl-4-pyridin-4-yl-2-(2-pyridin-4-ylethylamino)butanamide
SMILESNC(=O)C(CCc1ccncc1)(NCCc1ccncc1)c1ccc2ccccc2c1
InChIInChI=1S/C26H26N4O/c27-25(31)26(13-7-20-8-14-28-15-9-20,30-18-12-21-10-16-29-17-11-21)24-6-5-22-3-1-2-4-23(22)19-24/h1-6,8-11,14-17,19,30H,7,12-13,18H2,(H2,27,31)
InChIKeyVVVLEZMBJOUUJS-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.78
Rot. Bonds9

About 2-naphthalen-2-yl-4-pyridin-4-yl-2-(2-pyridin-4-ylethylamino)butanamide

2-naphthalen-2-yl-4-pyridin-4-yl-2-(2-pyridin-4-ylethylamino)butanamide (PubChem CID 142792470) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-pyridin-4-yl-2-(2-pyridin-4-ylethylamino)butanamide.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-pyridin-4-yl-2-(2-pyridin-4-ylethylamino)butanamide
PubChem CID142792470
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name2-naphthalen-2-yl-4-pyridin-4-yl-2-(2-pyridin-4-ylethylamino)butanamide
SMILESNC(=O)C(CCc1ccncc1)(NCCc1ccncc1)c1ccc2ccccc2c1
InChIInChI=1S/C26H26N4O/c27-25(31)26(13-7-20-8-14-28-15-9-20,30-18-12-21-10-16-29-17-11-21)24-6-5-22-3-1-2-4-23(22)19-24/h1-6,8-11,14-17,19,30H,7,12-13,18H2,(H2,27,31)
InChIKeyVVVLEZMBJOUUJS-UHFFFAOYSA-N
XLogP3.78
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Amg-548
CID 11167112
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CID 73099418
(S)-N-(1-(Pyridin-2-YL)ethyl)-5-(4-(trifluoromethyl)phenyl)-2-naphthamide
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(2S)-2-amino-3-(naphthalen-1-yl)-N-{5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}propanamide
CID 23646978
N-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-2-(4-(isoquinolin-7-yl)phenyl)acetamide (4)
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4-(2-Diphenyl)-N-(4-pyridinylmethyl)-1-piperazinehexanamide
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2,6-dimethyl-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-pyridin-4-ylmethyl]benzamide
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CID 824340

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-pyridin-4-yl-2-(2-pyridin-4-ylethylamino)butanamide?
The IUPAC name of 2-naphthalen-2-yl-4-pyridin-4-yl-2-(2-pyridin-4-ylethylamino)butanamide (CID 142792470) is 2-naphthalen-2-yl-4-pyridin-4-yl-2-(2-pyridin-4-ylethylamino)butanamide.
What is the SMILES notation for 2-naphthalen-2-yl-4-pyridin-4-yl-2-(2-pyridin-4-ylethylamino)butanamide?
The canonical SMILES for 2-naphthalen-2-yl-4-pyridin-4-yl-2-(2-pyridin-4-ylethylamino)butanamide is NC(=O)C(CCc1ccncc1)(NCCc1ccncc1)c1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-4-pyridin-4-yl-2-(2-pyridin-4-ylethylamino)butanamide?
The InChIKey is VVVLEZMBJOUUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c27-25(31)26(13-7-20-8-14-28-15-9-20,30-18-12-21-10-16-29-17-11-21)24-6-5-22-3-1-2-4-23(22)19-24/h1-6,8-11,14-17,19,30H,7,12-13,18H2,(H2,27,31).
What are the key properties of 2-naphthalen-2-yl-4-pyridin-4-yl-2-(2-pyridin-4-ylethylamino)butanamide?
2-naphthalen-2-yl-4-pyridin-4-yl-2-(2-pyridin-4-ylethylamino)butanamide has a molecular weight of 410.52 g/mol, XLogP of 3.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-pyridin-4-yl-2-(2-pyridin-4-ylethylamino)butanamide is sourced from PubChem (CID 142792470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).