4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid

C11H17N3O2 — CID 43143056

IUPAC4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid
SMILESCN(C)CCCNc1ccnc(C(=O)O)c1
InChIInChI=1S/C11H17N3O2/c1-14(2)7-3-5-12-9-4-6-13-10(8-9)11(15)16/h4,6,8H,3,5,7H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyBCBJLQJWCJWWOU-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.14
Rot. Bonds6

About 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid

4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid (PubChem CID 43143056) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid
PubChem CID43143056
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid
SMILESCN(C)CCCNc1ccnc(C(=O)O)c1
InChIInChI=1S/C11H17N3O2/c1-14(2)7-3-5-12-9-4-6-13-10(8-9)11(15)16/h4,6,8H,3,5,7H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyBCBJLQJWCJWWOU-UHFFFAOYSA-N
XLogP1.14
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylate
CID 66284614
4-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207266
N-butan-2-yl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109203245
N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109207769
N-cycloheptyl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109207939
N-[4-(dimethylamino)phenyl]-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109208013
4-[3-(dimethylamino)propylamino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109207899
4-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid
CID 43143006
4-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109207906
[4-[3-(dimethylamino)propylamino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109207935
N-(3-acetylphenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109208005
4-[3-(dimethylamino)propylamino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109207893

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid (CID 43143056) is 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid is CN(C)CCCNc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid?
The InChIKey is BCBJLQJWCJWWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14(2)7-3-5-12-9-4-6-13-10(8-9)11(15)16/h4,6,8H,3,5,7H2,1-2H3,(H,12,13)(H,15,16).
What are the key properties of 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid?
4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 43143056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).