5-[[(3-methylcyclopentyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid

C15H21N3O3 — CID 107414510

IUPAC5-[[(3-methylcyclopentyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid
SMILESCC1CCC(CNC(=O)NCc2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C15H21N3O3/c1-10-2-3-11(6-10)7-17-15(21)18-9-12-4-5-13(14(19)20)16-8-12/h4-5,8,10-11H,2-3,6-7,9H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyRRZIFPBYZNAPIZ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.02
Rot. Bonds5

About 5-[[(3-methylcyclopentyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid

5-[[(3-methylcyclopentyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid (PubChem CID 107414510) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-[[(3-methylcyclopentyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(3-methylcyclopentyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid
PubChem CID107414510
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name5-[[(3-methylcyclopentyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid
SMILESCC1CCC(CNC(=O)NCc2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C15H21N3O3/c1-10-2-3-11(6-10)7-17-15(21)18-9-12-4-5-13(14(19)20)16-8-12/h4-5,8,10-11H,2-3,6-7,9H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyRRZIFPBYZNAPIZ-UHFFFAOYSA-N
XLogP2.02
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(cyclobutylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81096105
5-[[(2-methylcyclopropyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid
CID 113464038
5-[(thiolan-3-ylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 107297439
5-[(2-butoxyethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090732
5-[(2-bicyclo[2.2.1]heptanylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090023
5-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81096535
5-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81096284
5-[[(3-aminocyclopentanecarbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099375
(E)-3-[6-[(3-methylcyclopentyl)methylcarbamoyl]-3-pyridinyl]prop-2-enoic acid
CID 107415116
5-[(2-bromoprop-2-enylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 113465161
5-[(thiophen-3-ylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81095921
5-[[(4-methylpiperazin-1-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 83017675

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-methylcyclopentyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(3-methylcyclopentyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid (CID 107414510) is 5-[[(3-methylcyclopentyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(3-methylcyclopentyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(3-methylcyclopentyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid is CC1CCC(CNC(=O)NCc2ccc(C(=O)O)nc2)C1.
What is the InChIKey of 5-[[(3-methylcyclopentyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid?
The InChIKey is RRZIFPBYZNAPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-2-3-11(6-10)7-17-15(21)18-9-12-4-5-13(14(19)20)16-8-12/h4-5,8,10-11H,2-3,6-7,9H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 5-[[(3-methylcyclopentyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid?
5-[[(3-methylcyclopentyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-methylcyclopentyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 107414510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).