N-naphthalen-2-yl-2-(propan-2-ylamino)pyridine-3-carboxamide

C19H19N3O — CID 84574296

IUPACN-naphthalen-2-yl-2-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1ncccc1C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H19N3O/c1-13(2)21-18-17(8-5-11-20-18)19(23)22-16-10-9-14-6-3-4-7-15(14)12-16/h3-13H,1-2H3,(H,20,21)(H,22,23)
InChIKeyVDMUUVYSCWZCRS-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.31
Rot. Bonds4

About N-naphthalen-2-yl-2-(propan-2-ylamino)pyridine-3-carboxamide

N-naphthalen-2-yl-2-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 84574296) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-naphthalen-2-yl-2-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-2-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID84574296
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-naphthalen-2-yl-2-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1ncccc1C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H19N3O/c1-13(2)21-18-17(8-5-11-20-18)19(23)22-16-10-9-14-6-3-4-7-15(14)12-16/h3-13H,1-2H3,(H,20,21)(H,22,23)
InChIKeyVDMUUVYSCWZCRS-UHFFFAOYSA-N
XLogP4.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-2-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-naphthalen-2-yl-2-(propan-2-ylamino)pyridine-3-carboxamide (CID 84574296) is N-naphthalen-2-yl-2-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-naphthalen-2-yl-2-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-naphthalen-2-yl-2-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1ncccc1C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of N-naphthalen-2-yl-2-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is VDMUUVYSCWZCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-13(2)21-18-17(8-5-11-20-18)19(23)22-16-10-9-14-6-3-4-7-15(14)12-16/h3-13H,1-2H3,(H,20,21)(H,22,23).
What are the key properties of N-naphthalen-2-yl-2-(propan-2-ylamino)pyridine-3-carboxamide?
N-naphthalen-2-yl-2-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-2-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 84574296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).