3-[[3-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]naphthalene-2-carboxylic acid

C21H22N4O3 — CID 54612865

IUPAC3-[[3-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]naphthalene-2-carboxylic acid
SMILESCN(C)CCNC(=O)c1cccnc1Nc1cc2ccccc2cc1C(=O)O
InChIInChI=1S/C21H22N4O3/c1-25(2)11-10-23-20(26)16-8-5-9-22-19(16)24-18-13-15-7-4-3-6-14(15)12-17(18)21(27)28/h3-9,12-13H,10-11H2,1-2H3,(H,22,24)(H,23,26)(H,27,28)
InChIKeyHUEMADDPZVLWKR-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.97
Rot. Bonds7

About 3-[[3-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]naphthalene-2-carboxylic acid

3-[[3-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]naphthalene-2-carboxylic acid (PubChem CID 54612865) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-[[3-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[3-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]naphthalene-2-carboxylic acid
PubChem CID54612865
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name3-[[3-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]naphthalene-2-carboxylic acid
SMILESCN(C)CCNC(=O)c1cccnc1Nc1cc2ccccc2cc1C(=O)O
InChIInChI=1S/C21H22N4O3/c1-25(2)11-10-23-20(26)16-8-5-9-22-19(16)24-18-13-15-7-4-3-6-14(15)12-17(18)21(27)28/h3-9,12-13H,10-11H2,1-2H3,(H,22,24)(H,23,26)(H,27,28)
InChIKeyHUEMADDPZVLWKR-UHFFFAOYSA-N
XLogP2.97
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
CID 61209338
N-[3-(dimethylamino)propyl]-2-hydrazinylpyridine-3-carboxamide
CID 60920879
2-(2-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1440949
N-[2-(dimethylamino)ethyl]-2-propanoylpyridine-3-carboxamide
CID 143839952
N-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide
CID 10690459
2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid
CID 114199769
2-(2-methoxyanilino)-N-propylpyridine-3-carboxamide
CID 32736796
N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 84576380
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(ethylamino)pyridine-3-carboxamide
CID 62978746
2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]benzoic acid
CID 104601328
N-[2-(dimethylamino)ethyl]-2-(2-methylanilino)benzamide
CID 163646514
N-(2-amino-2-methylpropyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 119625766

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]naphthalene-2-carboxylic acid?
The IUPAC name of 3-[[3-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]naphthalene-2-carboxylic acid (CID 54612865) is 3-[[3-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-[[3-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]naphthalene-2-carboxylic acid?
The canonical SMILES for 3-[[3-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]naphthalene-2-carboxylic acid is CN(C)CCNC(=O)c1cccnc1Nc1cc2ccccc2cc1C(=O)O.
What is the InChIKey of 3-[[3-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]naphthalene-2-carboxylic acid?
The InChIKey is HUEMADDPZVLWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-25(2)11-10-23-20(26)16-8-5-9-22-19(16)24-18-13-15-7-4-3-6-14(15)12-17(18)21(27)28/h3-9,12-13H,10-11H2,1-2H3,(H,22,24)(H,23,26)(H,27,28).
What are the key properties of 3-[[3-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]naphthalene-2-carboxylic acid?
3-[[3-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]naphthalene-2-carboxylic acid has a molecular weight of 378.43 g/mol, XLogP of 2.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]naphthalene-2-carboxylic acid is sourced from PubChem (CID 54612865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).