5-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid

C12H18N4O3 — CID 81095837

IUPAC5-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCNCCN(C)C(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C12H18N4O3/c1-13-5-6-16(2)12(19)15-8-9-3-4-10(11(17)18)14-7-9/h3-4,7,13H,5-6,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyWQMHMJQIHPHRMO-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.14
Rot. Bonds6

About 5-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid

5-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid (PubChem CID 81095837) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid
PubChem CID81095837
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name5-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCNCCN(C)C(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C12H18N4O3/c1-13-5-6-16(2)12(19)15-8-9-3-4-10(11(17)18)14-7-9/h3-4,7,13H,5-6,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyWQMHMJQIHPHRMO-UHFFFAOYSA-N
XLogP0.14
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[3-methoxypropyl(methyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81095514
5-[[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81096531
5-[[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81096371
5-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81096284
5-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81096018
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-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81096535
5-[[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81095741
5-[[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81090456
5-[[(5-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 82871594
5-[[[(2R)-2-aminopropanoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81100486

Frequently Asked Questions

What is the IUPAC name of 5-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid (CID 81095837) is 5-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid is CNCCN(C)C(=O)NCc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is WQMHMJQIHPHRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-13-5-6-16(2)12(19)15-8-9-3-4-10(11(17)18)14-7-9/h3-4,7,13H,5-6,8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 5-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid?
5-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81095837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).