4-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid

C14H23N3O2 — CID 43143006

IUPAC4-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid
SMILESCC(C)N(CCNc1ccnc(C(=O)O)c1)C(C)C
InChIInChI=1S/C14H23N3O2/c1-10(2)17(11(3)4)8-7-15-12-5-6-16-13(9-12)14(18)19/h5-6,9-11H,7-8H2,1-4H3,(H,15,16)(H,18,19)
InChIKeyCGRDOVMTXXNHBI-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.31
Rot. Bonds7

About 4-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid

4-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid (PubChem CID 43143006) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid
PubChem CID43143006
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid
SMILESCC(C)N(CCNc1ccnc(C(=O)O)c1)C(C)C
InChIInChI=1S/C14H23N3O2/c1-10(2)17(11(3)4)8-7-15-12-5-6-16-13(9-12)14(18)19/h5-6,9-11H,7-8H2,1-4H3,(H,15,16)(H,18,19)
InChIKeyCGRDOVMTXXNHBI-UHFFFAOYSA-N
XLogP2.31
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[di(propan-2-yl)amino]ethylamino]-N-ethylpyridine-2-carboxamide
CID 43517863
4-(2-propan-2-ylsulfonylethylamino)pyridine-2-carboxylic acid
CID 167824866
4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 43143056
4-[2-[ethyl(propyl)amino]ethylamino]pyridine-2-carboxylic acid
CID 114132784
N-(2-chloro-4-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 103756417
N,N-dimethyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carboxamide
CID 62642740
4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-2-carboxylic acid
CID 102906568
4-[2-[di(propan-2-yl)amino]ethoxy]pyridine-2-carboxylic acid
CID 115505423
4-(1-hydroxypropan-2-ylamino)pyridine-2-carboxylic acid
CID 63265091
4-[[2-(diethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 113406283
4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carbothioamide
CID 62926454
N-(2-methyl-4-pyridinyl)-N',N'-di(propan-2-yl)propane-1,3-diamine
CID 133492181

Frequently Asked Questions

What is the IUPAC name of 4-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid (CID 43143006) is 4-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid is CC(C)N(CCNc1ccnc(C(=O)O)c1)C(C)C.
What is the InChIKey of 4-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid?
The InChIKey is CGRDOVMTXXNHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)17(11(3)4)8-7-15-12-5-6-16-13(9-12)14(18)19/h5-6,9-11H,7-8H2,1-4H3,(H,15,16)(H,18,19).
What are the key properties of 4-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid?
4-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 43143006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).