5-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid

C15H21N3O3 — CID 107164989

IUPAC5-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCN1CCC(C)(CNC(=O)c2ccc(C(=O)O)nc2)CC1
InChIInChI=1S/C15H21N3O3/c1-15(5-7-18(2)8-6-15)10-17-13(19)11-3-4-12(14(20)21)16-9-11/h3-4,9H,5-8,10H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyWDPLVOCWHWZSGY-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.24
Rot. Bonds4

About 5-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid

5-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 107164989) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID107164989
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name5-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCN1CCC(C)(CNC(=O)c2ccc(C(=O)O)nc2)CC1
InChIInChI=1S/C15H21N3O3/c1-15(5-7-18(2)8-6-15)10-17-13(19)11-3-4-12(14(20)21)16-9-11/h3-4,9H,5-8,10H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyWDPLVOCWHWZSGY-UHFFFAOYSA-N
XLogP1.24
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1-methylcyclopropyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 103722129
5-[(1-methylcyclobutyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 103738125
N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-(methylamino)pyridine-2-carboxamide
CID 107165125
6-[(1-methylcyclopentyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63829285
4-carbamothioyl-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide
CID 107164094
6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid
CID 107164229
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2H-triazole-4-carboxamide
CID 113364724
4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 113364713
5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 60725088
N-(1,4-dimethylpiperidin-4-yl)-6-methylpyridine-3-carboxamide
CID 134434500
2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methylpyridine-4-carboxamide
CID 107165134
5-[2-(4-methylpiperazin-1-yl)acetyl]pyridine-2-carboxylic acid
CID 170861345

Frequently Asked Questions

What is the IUPAC name of 5-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid (CID 107164989) is 5-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid is CN1CCC(C)(CNC(=O)c2ccc(C(=O)O)nc2)CC1.
What is the InChIKey of 5-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is WDPLVOCWHWZSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(5-7-18(2)8-6-15)10-17-13(19)11-3-4-12(14(20)21)16-9-11/h3-4,9H,5-8,10H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 5-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid?
5-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 107164989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).