6-[4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid

C19H29N3O2 — CID 122054705

IUPAC6-[4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCCN(CCC1CCN(c2cccc(C(=O)O)n2)CC1)CC1CC1
InChIInChI=1S/C19H29N3O2/c1-2-21(14-16-6-7-16)11-8-15-9-12-22(13-10-15)18-5-3-4-17(20-18)19(23)24/h3-5,15-16H,2,6-14H2,1H3,(H,23,24)
InChIKeyBYZPUSKIXCRPHQ-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.12
Rot. Bonds8

About 6-[4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid

6-[4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122054705) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 6-[4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID122054705
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name6-[4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCCN(CCC1CCN(c2cccc(C(=O)O)n2)CC1)CC1CC1
InChIInChI=1S/C19H29N3O2/c1-2-21(14-16-6-7-16)11-8-15-9-12-22(13-10-15)18-5-3-4-17(20-18)19(23)24/h3-5,15-16H,2,6-14H2,1H3,(H,23,24)
InChIKeyBYZPUSKIXCRPHQ-UHFFFAOYSA-N
XLogP3.12
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 103496539
6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053326
6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122048040
6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053558
6-[4-(2-methylpropoxy)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053337
6-[4-(4-methylcyclohexyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122053839
6-[4-(cyclopropanecarbonylamino)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122051588
6-[cyclopropylmethyl(propyl)amino]pyridine-2-carboxylic acid
CID 2415269
6-(3-fluoropyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 122057812
3-[ethyl-[(1-pyridin-2-ylpiperidin-4-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 120982856
6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 63537874
6-(4-imidazol-1-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 122053398

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid (CID 122054705) is 6-[4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid is CCN(CCC1CCN(c2cccc(C(=O)O)n2)CC1)CC1CC1.
What is the InChIKey of 6-[4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is BYZPUSKIXCRPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-2-21(14-16-6-7-16)11-8-15-9-12-22(13-10-15)18-5-3-4-17(20-18)19(23)24/h3-5,15-16H,2,6-14H2,1H3,(H,23,24).
What are the key properties of 6-[4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid?
6-[4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 331.46 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122054705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).