2-[methyl(naphthalen-2-yl)amino]-N-pyrimidin-2-ylpropanamide

C18H18N4O — CID 78834676

IUPAC2-[methyl(naphthalen-2-yl)amino]-N-pyrimidin-2-ylpropanamide
SMILESCC(C(=O)Nc1ncccn1)N(C)c1ccc2ccccc2c1
InChIInChI=1S/C18H18N4O/c1-13(17(23)21-18-19-10-5-11-20-18)22(2)16-9-8-14-6-3-4-7-15(14)12-16/h3-13H,1-2H3,(H,19,20,21,23)
InChIKeyCNQLKFRVVXOCGF-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.09
Rot. Bonds4

About 2-[methyl(naphthalen-2-yl)amino]-N-pyrimidin-2-ylpropanamide

2-[methyl(naphthalen-2-yl)amino]-N-pyrimidin-2-ylpropanamide (PubChem CID 78834676) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[methyl(naphthalen-2-yl)amino]-N-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name2-[methyl(naphthalen-2-yl)amino]-N-pyrimidin-2-ylpropanamide
PubChem CID78834676
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2-[methyl(naphthalen-2-yl)amino]-N-pyrimidin-2-ylpropanamide
SMILESCC(C(=O)Nc1ncccn1)N(C)c1ccc2ccccc2c1
InChIInChI=1S/C18H18N4O/c1-13(17(23)21-18-19-10-5-11-20-18)22(2)16-9-8-14-6-3-4-7-15(14)12-16/h3-13H,1-2H3,(H,19,20,21,23)
InChIKeyCNQLKFRVVXOCGF-UHFFFAOYSA-N
XLogP3.09
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[methyl(naphthalen-2-yl)amino]propanamide
CID 78613802
N-(cyclopentylcarbamoyl)-2-[methyl(naphthalen-2-yl)amino]propanamide
CID 78818923
2-[methyl(naphthalen-2-yl)amino]-N-(3-sulfamoylphenyl)propanamide
CID 78818809
N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(naphthalen-2-yl)amino]propanamide
CID 78732784
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[methyl(naphthalen-2-yl)amino]propanamide
CID 78789203
(2S)-N-methyl-2-[methyl(naphthalen-2-yl)amino]-N-phenylpropanamide
CID 8593153
2-(3-amino-N-methylanilino)-N-phenylpropanamide
CID 61297699
(2S)-2-(dimethylamino)-N-quinolin-8-ylpropanamide
CID 59003766
(2S)-2-[(4-fluorophenyl)methyl-methylamino]-N-pyrimidin-2-ylpropanamide
CID 94177190
2-naphthalen-2-ylsulfanyl-N-pyrimidin-2-ylacetamide
CID 2358893
2-[3-hydroxybutyl(methyl)amino]-N-naphthalen-2-ylpropanamide
CID 111496932
(2R)-2-[2-(4-chlorophenyl)ethyl-methylamino]-N-pyrimidin-2-ylpropanamide
CID 124606771

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(naphthalen-2-yl)amino]-N-pyrimidin-2-ylpropanamide?
The IUPAC name of 2-[methyl(naphthalen-2-yl)amino]-N-pyrimidin-2-ylpropanamide (CID 78834676) is 2-[methyl(naphthalen-2-yl)amino]-N-pyrimidin-2-ylpropanamide.
What is the SMILES notation for 2-[methyl(naphthalen-2-yl)amino]-N-pyrimidin-2-ylpropanamide?
The canonical SMILES for 2-[methyl(naphthalen-2-yl)amino]-N-pyrimidin-2-ylpropanamide is CC(C(=O)Nc1ncccn1)N(C)c1ccc2ccccc2c1.
What is the InChIKey of 2-[methyl(naphthalen-2-yl)amino]-N-pyrimidin-2-ylpropanamide?
The InChIKey is CNQLKFRVVXOCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13(17(23)21-18-19-10-5-11-20-18)22(2)16-9-8-14-6-3-4-7-15(14)12-16/h3-13H,1-2H3,(H,19,20,21,23).
What are the key properties of 2-[methyl(naphthalen-2-yl)amino]-N-pyrimidin-2-ylpropanamide?
2-[methyl(naphthalen-2-yl)amino]-N-pyrimidin-2-ylpropanamide has a molecular weight of 306.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(naphthalen-2-yl)amino]-N-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 78834676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).