4-[1-(diethylamino)propan-2-ylamino]-2,6-dimethylpyridine-3-carboxylic acid

C15H25N3O2 — CID 81051442

IUPAC4-[1-(diethylamino)propan-2-ylamino]-2,6-dimethylpyridine-3-carboxylic acid
SMILESCCN(CC)CC(C)Nc1cc(C)nc(C)c1C(=O)O
InChIInChI=1S/C15H25N3O2/c1-6-18(7-2)9-11(4)17-13-8-10(3)16-12(5)14(13)15(19)20/h8,11H,6-7,9H2,1-5H3,(H,16,17)(H,19,20)
InChIKeyUFNSGUXXBYGZRH-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.54
Rot. Bonds7

About 4-[1-(diethylamino)propan-2-ylamino]-2,6-dimethylpyridine-3-carboxylic acid

4-[1-(diethylamino)propan-2-ylamino]-2,6-dimethylpyridine-3-carboxylic acid (PubChem CID 81051442) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[1-(diethylamino)propan-2-ylamino]-2,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[1-(diethylamino)propan-2-ylamino]-2,6-dimethylpyridine-3-carboxylic acid
PubChem CID81051442
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-[1-(diethylamino)propan-2-ylamino]-2,6-dimethylpyridine-3-carboxylic acid
SMILESCCN(CC)CC(C)Nc1cc(C)nc(C)c1C(=O)O
InChIInChI=1S/C15H25N3O2/c1-6-18(7-2)9-11(4)17-13-8-10(3)16-12(5)14(13)15(19)20/h8,11H,6-7,9H2,1-5H3,(H,16,17)(H,19,20)
InChIKeyUFNSGUXXBYGZRH-UHFFFAOYSA-N
XLogP2.54
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-methoxypropan-2-ylamino)-2,6-dimethylpyridine-3-carboxylic acid
CID 81052577
2,6-dimethyl-4-(2-methylpentan-3-ylamino)pyridine-3-carboxylic acid
CID 81051750
4-[1-(diethylamino)propan-2-ylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060744
4-(ethylamino)-2,6-dimethylpyridine-3-carboxylic acid
CID 81052197
2,6-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)pyridine-3-carboxylic acid
CID 81053770
4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81053761
1-N,7-N-bis[1-(diethylamino)propan-2-yl]-3,9-dimethylquinolino[8,7-h]quinoline-1,7-diamine;hydrochloride
CID 54607641
4-[2-(dimethylamino)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81052116
2-(butan-2-ylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678486
4-[(3-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81053855
4-(hexylamino)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053067
2,6-dimethyl-4-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 81053301

Frequently Asked Questions

What is the IUPAC name of 4-[1-(diethylamino)propan-2-ylamino]-2,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 4-[1-(diethylamino)propan-2-ylamino]-2,6-dimethylpyridine-3-carboxylic acid (CID 81051442) is 4-[1-(diethylamino)propan-2-ylamino]-2,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[1-(diethylamino)propan-2-ylamino]-2,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[1-(diethylamino)propan-2-ylamino]-2,6-dimethylpyridine-3-carboxylic acid is CCN(CC)CC(C)Nc1cc(C)nc(C)c1C(=O)O.
What is the InChIKey of 4-[1-(diethylamino)propan-2-ylamino]-2,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is UFNSGUXXBYGZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-6-18(7-2)9-11(4)17-13-8-10(3)16-12(5)14(13)15(19)20/h8,11H,6-7,9H2,1-5H3,(H,16,17)(H,19,20).
What are the key properties of 4-[1-(diethylamino)propan-2-ylamino]-2,6-dimethylpyridine-3-carboxylic acid?
4-[1-(diethylamino)propan-2-ylamino]-2,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 279.38 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(diethylamino)propan-2-ylamino]-2,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 81051442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).