5-[propan-2-yl(propyl)amino]pyridine-2-carboxylic acid

C12H18N2O2 — CID 115490777

IUPAC5-[propan-2-yl(propyl)amino]pyridine-2-carboxylic acid
SMILESCCCN(c1ccc(C(=O)O)nc1)C(C)C
InChIInChI=1S/C12H18N2O2/c1-4-7-14(9(2)3)10-5-6-11(12(15)16)13-8-10/h5-6,8-9H,4,7H2,1-3H3,(H,15,16)
InChIKeyKZVCSIFXYPQEBV-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.40
Rot. Bonds5

About 5-[propan-2-yl(propyl)amino]pyridine-2-carboxylic acid

5-[propan-2-yl(propyl)amino]pyridine-2-carboxylic acid (PubChem CID 115490777) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-[propan-2-yl(propyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[propan-2-yl(propyl)amino]pyridine-2-carboxylic acid
PubChem CID115490777
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name5-[propan-2-yl(propyl)amino]pyridine-2-carboxylic acid
SMILESCCCN(c1ccc(C(=O)O)nc1)C(C)C
InChIInChI=1S/C12H18N2O2/c1-4-7-14(9(2)3)10-5-6-11(12(15)16)13-8-10/h5-6,8-9H,4,7H2,1-3H3,(H,15,16)
InChIKeyKZVCSIFXYPQEBV-UHFFFAOYSA-N
XLogP2.40
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[propan-2-yl(propyl)amino]pyridine-2-carbothioamide
CID 115488219
5-[butan-2-yl(ethyl)amino]pyridine-2-carboxylic acid
CID 115490776
(1S)-1-[5-[propan-2-yl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 103938356
5-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboxylic acid
CID 104638983
5-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid
CID 115490768
5-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carboxylic acid
CID 115490822
5-[methyl(3-methylbutanoyl)amino]pyridine-2-carboxylic acid
CID 115268096
5-[ethyl(2-ethylbutyl)amino]pyridine-2-carboxylic acid
CID 115490832
5-[benzyl(propan-2-yl)amino]-N-butan-2-ylpyridine-2-carboxamide
CID 109181465
1-[5-[pentyl(propan-2-yl)amino]-2-pyridinyl]propan-1-ol
CID 112585369
1-[5-[cyclopropylmethyl(propan-2-yl)amino]-2-pyridinyl]propan-1-one
CID 112583609
5-(4-ethyl-N-methylanilino)pyridine-2-carboxylic acid
CID 113321588

Frequently Asked Questions

What is the IUPAC name of 5-[propan-2-yl(propyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[propan-2-yl(propyl)amino]pyridine-2-carboxylic acid (CID 115490777) is 5-[propan-2-yl(propyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[propan-2-yl(propyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[propan-2-yl(propyl)amino]pyridine-2-carboxylic acid is CCCN(c1ccc(C(=O)O)nc1)C(C)C.
What is the InChIKey of 5-[propan-2-yl(propyl)amino]pyridine-2-carboxylic acid?
The InChIKey is KZVCSIFXYPQEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-7-14(9(2)3)10-5-6-11(12(15)16)13-8-10/h5-6,8-9H,4,7H2,1-3H3,(H,15,16).
What are the key properties of 5-[propan-2-yl(propyl)amino]pyridine-2-carboxylic acid?
5-[propan-2-yl(propyl)amino]pyridine-2-carboxylic acid has a molecular weight of 222.29 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[propan-2-yl(propyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 115490777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).