5-[[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid

C14H19N3O4 — CID 81090456

IUPAC5-[[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCOCCN(C(=O)NCc1ccc(C(=O)O)nc1)C1CC1
InChIInChI=1S/C14H19N3O4/c1-21-7-6-17(11-3-4-11)14(20)16-9-10-2-5-12(13(18)19)15-8-10/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,16,20)(H,18,19)
InChIKeyRAAGXWINILPBML-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.10
Rot. Bonds7

About 5-[[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid

5-[[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid (PubChem CID 81090456) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-[[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
PubChem CID81090456
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name5-[[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCOCCN(C(=O)NCc1ccc(C(=O)O)nc1)C1CC1
InChIInChI=1S/C14H19N3O4/c1-21-7-6-17(11-3-4-11)14(20)16-9-10-2-5-12(13(18)19)15-8-10/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,16,20)(H,18,19)
InChIKeyRAAGXWINILPBML-UHFFFAOYSA-N
XLogP1.10
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[3-methoxypropyl(methyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81095514
2-[cyclopropyl-[(6-methoxy-3-pyridinyl)methylcarbamoyl]amino]acetic acid
CID 62994376
5-[[[2-ethoxyethyl(ethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81090834
5-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81095837
5-[[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81096371
5-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81096018
5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81100153
5-[(cyclobutylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81096105
5-[[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81096531
N-cyclopropyl-N-(2-methoxyethyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107374972
5-[[[butyl(2-hydroxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81090384
5-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 102962931

Frequently Asked Questions

What is the IUPAC name of 5-[[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid (CID 81090456) is 5-[[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid is COCCN(C(=O)NCc1ccc(C(=O)O)nc1)C1CC1.
What is the InChIKey of 5-[[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is RAAGXWINILPBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-21-7-6-17(11-3-4-11)14(20)16-9-10-2-5-12(13(18)19)15-8-10/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 5-[[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid?
5-[[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81090456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).