2-[(1-propylpiperidin-4-yl)amino]pyridine-4-carboxylic acid

C14H21N3O2 — CID 60708962

IUPAC2-[(1-propylpiperidin-4-yl)amino]pyridine-4-carboxylic acid
SMILESCCCN1CCC(Nc2cc(C(=O)O)ccn2)CC1
InChIInChI=1S/C14H21N3O2/c1-2-7-17-8-4-12(5-9-17)16-13-10-11(14(18)19)3-6-15-13/h3,6,10,12H,2,4-5,7-9H2,1H3,(H,15,16)(H,18,19)
InChIKeyLCFDMQKCPUURAT-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.07
Rot. Bonds5

About 2-[(1-propylpiperidin-4-yl)amino]pyridine-4-carboxylic acid

2-[(1-propylpiperidin-4-yl)amino]pyridine-4-carboxylic acid (PubChem CID 60708962) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(1-propylpiperidin-4-yl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(1-propylpiperidin-4-yl)amino]pyridine-4-carboxylic acid
PubChem CID60708962
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[(1-propylpiperidin-4-yl)amino]pyridine-4-carboxylic acid
SMILESCCCN1CCC(Nc2cc(C(=O)O)ccn2)CC1
InChIInChI=1S/C14H21N3O2/c1-2-7-17-8-4-12(5-9-17)16-13-10-11(14(18)19)3-6-15-13/h3,6,10,12H,2,4-5,7-9H2,1H3,(H,15,16)(H,18,19)
InChIKeyLCFDMQKCPUURAT-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

2-(oxan-4-ylamino)pyridine-4-carboxylic acid
CID 43610330
3-bromo-4-[(1-propylpiperidin-4-yl)amino]benzoic acid
CID 82800456
N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249951
N-methyl-4-[(1-propylpiperidin-4-yl)amino]pyridine-2-carboxamide
CID 60703936
6-ethoxy-N-(1-propylpiperidin-4-yl)pyrimidin-4-amine
CID 66330964
2-N-ethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 80807066
ethyl 4-[[4-(propylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109165045
3-[4-(pyridin-2-ylamino)piperidin-1-yl]propanoic acid
CID 134069519
2-(cyclopropylamino)-N-methylpyridine-4-carboxamide
CID 130666257
2-[[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]amino]pyridine-4-carboxamide
CID 67398804
5-nitro-N-(1-propylpiperidin-4-yl)pyridin-2-amine
CID 60667091
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]pyridine-4-carboxylic acid
CID 118918262

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propylpiperidin-4-yl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(1-propylpiperidin-4-yl)amino]pyridine-4-carboxylic acid (CID 60708962) is 2-[(1-propylpiperidin-4-yl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(1-propylpiperidin-4-yl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(1-propylpiperidin-4-yl)amino]pyridine-4-carboxylic acid is CCCN1CCC(Nc2cc(C(=O)O)ccn2)CC1.
What is the InChIKey of 2-[(1-propylpiperidin-4-yl)amino]pyridine-4-carboxylic acid?
The InChIKey is LCFDMQKCPUURAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-7-17-8-4-12(5-9-17)16-13-10-11(14(18)19)3-6-15-13/h3,6,10,12H,2,4-5,7-9H2,1H3,(H,15,16)(H,18,19).
What are the key properties of 2-[(1-propylpiperidin-4-yl)amino]pyridine-4-carboxylic acid?
2-[(1-propylpiperidin-4-yl)amino]pyridine-4-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 2-[(1-propylpiperidin-4-yl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 60708962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).