4-[1-(diethylamino)propan-2-ylamino]pyridine-3-carboxylic acid

C13H21N3O2 — CID 81243719

IUPAC4-[1-(diethylamino)propan-2-ylamino]pyridine-3-carboxylic acid
SMILESCCN(CC)CC(C)Nc1ccncc1C(=O)O
InChIInChI=1S/C13H21N3O2/c1-4-16(5-2)9-10(3)15-12-6-7-14-8-11(12)13(17)18/h6-8,10H,4-5,9H2,1-3H3,(H,14,15)(H,17,18)
InChIKeyYQUCCEKROWQKLC-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.92
Rot. Bonds7

About 4-[1-(diethylamino)propan-2-ylamino]pyridine-3-carboxylic acid

4-[1-(diethylamino)propan-2-ylamino]pyridine-3-carboxylic acid (PubChem CID 81243719) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[1-(diethylamino)propan-2-ylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[1-(diethylamino)propan-2-ylamino]pyridine-3-carboxylic acid
PubChem CID81243719
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-[1-(diethylamino)propan-2-ylamino]pyridine-3-carboxylic acid
SMILESCCN(CC)CC(C)Nc1ccncc1C(=O)O
InChIInChI=1S/C13H21N3O2/c1-4-16(5-2)9-10(3)15-12-6-7-14-8-11(12)13(17)18/h6-8,10H,4-5,9H2,1-3H3,(H,14,15)(H,17,18)
InChIKeyYQUCCEKROWQKLC-UHFFFAOYSA-N
XLogP1.92
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid
CID 81233296
N-[1-(diethylamino)propan-2-yl]-3-fluoropyridine-4-carboxamide
CID 115646514
4-(4-hydroxypentylamino)pyridine-3-carboxylic acid
CID 106136496
3-(4-hydroxybutan-2-ylamino)pyridine-4-carboxylic acid
CID 83187293
4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxylic acid
CID 114177024
4-(1-thiophen-2-ylpropylamino)pyridine-3-carboxylic acid
CID 81243701
4-[ethyl(methyl)amino]pyridine-3-carboxylic acid
CID 81233141
4-[ethyl(2-methylpropyl)carbamoyl]pyridine-3-carboxylic acid
CID 114244330
4-[1-(diethylamino)propan-2-ylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81051442
2-(butan-2-ylamino)benzoic acid
CID 19609454
4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid
CID 81233154
4-(propan-2-yloxycarbonylamino)pyridine-3-carboxylic acid
CID 143011020

Frequently Asked Questions

What is the IUPAC name of 4-[1-(diethylamino)propan-2-ylamino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[1-(diethylamino)propan-2-ylamino]pyridine-3-carboxylic acid (CID 81243719) is 4-[1-(diethylamino)propan-2-ylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[1-(diethylamino)propan-2-ylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[1-(diethylamino)propan-2-ylamino]pyridine-3-carboxylic acid is CCN(CC)CC(C)Nc1ccncc1C(=O)O.
What is the InChIKey of 4-[1-(diethylamino)propan-2-ylamino]pyridine-3-carboxylic acid?
The InChIKey is YQUCCEKROWQKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-16(5-2)9-10(3)15-12-6-7-14-8-11(12)13(17)18/h6-8,10H,4-5,9H2,1-3H3,(H,14,15)(H,17,18).
What are the key properties of 4-[1-(diethylamino)propan-2-ylamino]pyridine-3-carboxylic acid?
4-[1-(diethylamino)propan-2-ylamino]pyridine-3-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 1.92, 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]pyridine-3-carboxylic acid is sourced from PubChem (CID 81243719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).