5-[[[3-methoxypropyl(methyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid

C13H19N3O4 — CID 81095514

IUPAC5-[[[3-methoxypropyl(methyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCOCCCN(C)C(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C13H19N3O4/c1-16(6-3-7-20-2)13(19)15-9-10-4-5-11(12(17)18)14-8-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyDPNKCANNSNPAMH-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.96
Rot. Bonds7

About 5-[[[3-methoxypropyl(methyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid

5-[[[3-methoxypropyl(methyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid (PubChem CID 81095514) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-[[[3-methoxypropyl(methyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[3-methoxypropyl(methyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
PubChem CID81095514
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name5-[[[3-methoxypropyl(methyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCOCCCN(C)C(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C13H19N3O4/c1-16(6-3-7-20-2)13(19)15-9-10-4-5-11(12(17)18)14-8-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyDPNKCANNSNPAMH-UHFFFAOYSA-N
XLogP0.96
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81095837
5-[[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81090456
5-[[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81096531
5-(aminomethyl)-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide
CID 63722720
5-[[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81096371
5-[[[2-ethoxyethyl(ethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81090834
5-[[[butyl(2-hydroxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81090384
5-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81096018
6-[3-methoxypropyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 55140872
5-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81096284
1-methyl-1-(3-phenoxypropyl)-3-(pyridin-4-ylmethyl)urea
CID 86998973
5-[[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81095741

Frequently Asked Questions

What is the IUPAC name of 5-[[[3-methoxypropyl(methyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[[3-methoxypropyl(methyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid (CID 81095514) is 5-[[[3-methoxypropyl(methyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[[3-methoxypropyl(methyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[[3-methoxypropyl(methyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid is COCCCN(C)C(=O)NCc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[[3-methoxypropyl(methyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is DPNKCANNSNPAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-16(6-3-7-20-2)13(19)15-9-10-4-5-11(12(17)18)14-8-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 5-[[[3-methoxypropyl(methyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid?
5-[[[3-methoxypropyl(methyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3-methoxypropyl(methyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81095514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).