4-(1-piperidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid

C14H21N3O2 — CID 61499911

IUPAC4-(1-piperidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid
SMILESCC(CN1CCCCC1)Nc1ccnc(C(=O)O)c1
InChIInChI=1S/C14H21N3O2/c1-11(10-17-7-3-2-4-8-17)16-12-5-6-15-13(9-12)14(18)19/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,15,16)(H,18,19)
InChIKeyBUJFWAQWWLQXEO-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.07
Rot. Bonds5

About 4-(1-piperidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid

4-(1-piperidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid (PubChem CID 61499911) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(1-piperidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-piperidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid
PubChem CID61499911
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-(1-piperidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid
SMILESCC(CN1CCCCC1)Nc1ccnc(C(=O)O)c1
InChIInChI=1S/C14H21N3O2/c1-11(10-17-7-3-2-4-8-17)16-12-5-6-15-13(9-12)14(18)19/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,15,16)(H,18,19)
InChIKeyBUJFWAQWWLQXEO-UHFFFAOYSA-N
XLogP2.07
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-hydroxypropan-2-ylamino)pyridine-2-carboxylic acid
CID 63265091
4-(4-methoxybutan-2-ylamino)pyridine-2-carboxylic acid
CID 64606104
N,N-dimethyl-4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carboxamide
CID 62992312
4-[1-(4-fluorophenyl)propan-2-ylamino]pyridine-2-carboxylic acid
CID 63009703
4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carboxylic acid
CID 79250554
4-(butan-2-ylamino)-N-cyclohexylpyridine-2-carboxamide
CID 109203427
4-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]-N-propan-2-ylpyridine-2-carboxamide
CID 95722888
[4-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109203044
4-[1-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carboxylic acid
CID 114286357
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carboxylic acid
CID 107553892
4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-2-carboxamide
CID 61051288
1-[4-(1-hydroxypropan-2-ylamino)-2-pyridinyl]ethanone
CID 130645621

Frequently Asked Questions

What is the IUPAC name of 4-(1-piperidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid?
The IUPAC name of 4-(1-piperidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid (CID 61499911) is 4-(1-piperidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(1-piperidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(1-piperidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid is CC(CN1CCCCC1)Nc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-(1-piperidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid?
The InChIKey is BUJFWAQWWLQXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11(10-17-7-3-2-4-8-17)16-12-5-6-15-13(9-12)14(18)19/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,15,16)(H,18,19).
What are the key properties of 4-(1-piperidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid?
4-(1-piperidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-piperidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 61499911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).