N-[6-(dimethylamino)naphthalen-2-yl]-3-(1-methylpyrazol-4-yl)propanamide

C19H22N4O — CID 122153684

IUPACN-[6-(dimethylamino)naphthalen-2-yl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCN(C)c1ccc2cc(NC(=O)CCc3cnn(C)c3)ccc2c1
InChIInChI=1S/C19H22N4O/c1-22(2)18-8-6-15-10-17(7-5-16(15)11-18)21-19(24)9-4-14-12-20-23(3)13-14/h5-8,10-13H,4,9H2,1-3H3,(H,21,24)
InChIKeyGXYDTTFLKLRPEM-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.21
Rot. Bonds5

About N-[6-(dimethylamino)naphthalen-2-yl]-3-(1-methylpyrazol-4-yl)propanamide

N-[6-(dimethylamino)naphthalen-2-yl]-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 122153684) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[6-(dimethylamino)naphthalen-2-yl]-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)naphthalen-2-yl]-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID122153684
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[6-(dimethylamino)naphthalen-2-yl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCN(C)c1ccc2cc(NC(=O)CCc3cnn(C)c3)ccc2c1
InChIInChI=1S/C19H22N4O/c1-22(2)18-8-6-15-10-17(7-5-16(15)11-18)21-19(24)9-4-14-12-20-23(3)13-14/h5-8,10-13H,4,9H2,1-3H3,(H,21,24)
InChIKeyGXYDTTFLKLRPEM-UHFFFAOYSA-N
XLogP3.21
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)naphthalen-2-yl]-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-[6-(dimethylamino)naphthalen-2-yl]-3-(1-methylpyrazol-4-yl)propanamide (CID 122153684) is N-[6-(dimethylamino)naphthalen-2-yl]-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[6-(dimethylamino)naphthalen-2-yl]-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[6-(dimethylamino)naphthalen-2-yl]-3-(1-methylpyrazol-4-yl)propanamide is CN(C)c1ccc2cc(NC(=O)CCc3cnn(C)c3)ccc2c1.
What is the InChIKey of N-[6-(dimethylamino)naphthalen-2-yl]-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is GXYDTTFLKLRPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-22(2)18-8-6-15-10-17(7-5-16(15)11-18)21-19(24)9-4-14-12-20-23(3)13-14/h5-8,10-13H,4,9H2,1-3H3,(H,21,24).
What are the key properties of N-[6-(dimethylamino)naphthalen-2-yl]-3-(1-methylpyrazol-4-yl)propanamide?
N-[6-(dimethylamino)naphthalen-2-yl]-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 322.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)naphthalen-2-yl]-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 122153684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).