2-naphthalen-2-yl-3-pyridin-3-yl-2-(pyridin-3-ylmethylamino)propanamide

C24H22N4O — CID 142792047

IUPAC2-naphthalen-2-yl-3-pyridin-3-yl-2-(pyridin-3-ylmethylamino)propanamide
SMILESNC(=O)C(Cc1cccnc1)(NCc1cccnc1)c1ccc2ccccc2c1
InChIInChI=1S/C24H22N4O/c25-23(29)24(14-18-5-3-11-26-15-18,28-17-19-6-4-12-27-16-19)22-10-9-20-7-1-2-8-21(20)13-22/h1-13,15-16,28H,14,17H2,(H2,25,29)
InChIKeyHQDKITOXSKLQSW-UHFFFAOYSA-N
MW382.47 g/mol
LogP3.34
Rot. Bonds7

About 2-naphthalen-2-yl-3-pyridin-3-yl-2-(pyridin-3-ylmethylamino)propanamide

2-naphthalen-2-yl-3-pyridin-3-yl-2-(pyridin-3-ylmethylamino)propanamide (PubChem CID 142792047) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-naphthalen-2-yl-3-pyridin-3-yl-2-(pyridin-3-ylmethylamino)propanamide.

Molecular Properties

Compound Name2-naphthalen-2-yl-3-pyridin-3-yl-2-(pyridin-3-ylmethylamino)propanamide
PubChem CID142792047
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name2-naphthalen-2-yl-3-pyridin-3-yl-2-(pyridin-3-ylmethylamino)propanamide
SMILESNC(=O)C(Cc1cccnc1)(NCc1cccnc1)c1ccc2ccccc2c1
InChIInChI=1S/C24H22N4O/c25-23(29)24(14-18-5-3-11-26-15-18,28-17-19-6-4-12-27-16-19)22-10-9-20-7-1-2-8-21(20)13-22/h1-13,15-16,28H,14,17H2,(H2,25,29)
InChIKeyHQDKITOXSKLQSW-UHFFFAOYSA-N
XLogP3.34
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-3-pyridin-3-yl-2-(pyridin-3-ylmethylamino)propanamide?
The IUPAC name of 2-naphthalen-2-yl-3-pyridin-3-yl-2-(pyridin-3-ylmethylamino)propanamide (CID 142792047) is 2-naphthalen-2-yl-3-pyridin-3-yl-2-(pyridin-3-ylmethylamino)propanamide.
What is the SMILES notation for 2-naphthalen-2-yl-3-pyridin-3-yl-2-(pyridin-3-ylmethylamino)propanamide?
The canonical SMILES for 2-naphthalen-2-yl-3-pyridin-3-yl-2-(pyridin-3-ylmethylamino)propanamide is NC(=O)C(Cc1cccnc1)(NCc1cccnc1)c1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-3-pyridin-3-yl-2-(pyridin-3-ylmethylamino)propanamide?
The InChIKey is HQDKITOXSKLQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c25-23(29)24(14-18-5-3-11-26-15-18,28-17-19-6-4-12-27-16-19)22-10-9-20-7-1-2-8-21(20)13-22/h1-13,15-16,28H,14,17H2,(H2,25,29).
What are the key properties of 2-naphthalen-2-yl-3-pyridin-3-yl-2-(pyridin-3-ylmethylamino)propanamide?
2-naphthalen-2-yl-3-pyridin-3-yl-2-(pyridin-3-ylmethylamino)propanamide has a molecular weight of 382.47 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-3-pyridin-3-yl-2-(pyridin-3-ylmethylamino)propanamide is sourced from PubChem (CID 142792047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).