6-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid

C18H25N3O4 — CID 119184579

IUPAC6-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCC(C)(C)C(=O)NCC1CCCN(C(=O)c2cccc(C(=O)O)n2)C1
InChIInChI=1S/C18H25N3O4/c1-18(2,3)17(25)19-10-12-6-5-9-21(11-12)15(22)13-7-4-8-14(20-13)16(23)24/h4,7-8,12H,5-6,9-11H2,1-3H3,(H,19,25)(H,23,24)
InChIKeyUTVFSZKRUCCJEO-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.79
Rot. Bonds4

About 6-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid

6-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid (PubChem CID 119184579) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 6-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
PubChem CID119184579
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name6-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCC(C)(C)C(=O)NCC1CCCN(C(=O)c2cccc(C(=O)O)n2)C1
InChIInChI=1S/C18H25N3O4/c1-18(2,3)17(25)19-10-12-6-5-9-21(11-12)15(22)13-7-4-8-14(20-13)16(23)24/h4,7-8,12H,5-6,9-11H2,1-3H3,(H,19,25)(H,23,24)
InChIKeyUTVFSZKRUCCJEO-UHFFFAOYSA-N
XLogP1.79
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[[(3R)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]methyl]benzamide
CID 25481314
[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 43422119
5-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
CID 120821755
[6-(ethylamino)-2-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228661
2,2-dimethyl-N-[[(3R)-1-[3-(3-methylphenyl)propanoyl]piperidin-3-yl]methyl]propanamide
CID 95334060
6-[4-(2-cyclopentylacetyl)-1,4-diazepane-1-carbonyl]pyridine-2-carboxylic acid
CID 119184625
2-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetic acid
CID 62690770
(3S)-3-[(2,2-dimethylpropanoylamino)methyl]-N-prop-2-enylpiperidine-1-carboxamide
CID 96532461
[6-(3-methylpiperidine-1-carbonyl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109095169
6-(piperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43558285
N-[[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide
CID 119779313
4-[3-(benzamidomethyl)piperidine-1-carbonyl]benzoic acid
CID 119183635

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid (CID 119184579) is 6-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid is CC(C)(C)C(=O)NCC1CCCN(C(=O)c2cccc(C(=O)O)n2)C1.
What is the InChIKey of 6-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The InChIKey is UTVFSZKRUCCJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-18(2,3)17(25)19-10-12-6-5-9-21(11-12)15(22)13-7-4-8-14(20-13)16(23)24/h4,7-8,12H,5-6,9-11H2,1-3H3,(H,19,25)(H,23,24).
What are the key properties of 6-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid?
6-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid has a molecular weight of 347.42 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119184579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).