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

C14H19N3O3 — CID 81096371

IUPAC5-[[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCC1CC1CN(C)C(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C14H19N3O3/c1-9-5-11(9)8-17(2)14(20)16-7-10-3-4-12(13(18)19)15-6-10/h3-4,6,9,11H,5,7-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyRUXNZGWCWBGBPA-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.58
Rot. Bonds5

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

5-[[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid (PubChem CID 81096371) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-[[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid
PubChem CID81096371
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name5-[[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCC1CC1CN(C)C(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C14H19N3O3/c1-9-5-11(9)8-17(2)14(20)16-7-10-3-4-12(13(18)19)15-6-10/h3-4,6,9,11H,5,7-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyRUXNZGWCWBGBPA-UHFFFAOYSA-N
XLogP1.58
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Fusaric Acid
CID 3442
3-Methylpicolinic acid
CID 268757
2-(((2-((2-(Dimethylamino)ethyl)(ethyl)amino)-2-oxoethyl)amino)methyl)isonicotinic acid
CID 86346639
5-Methylpicolinic acid
CID 199575
5-Ethylpicolinic acid
CID 120375
Picolinic acid, 5-pentyl-
CID 212527
Picolinic acid, 5-heptyl-
CID 212529
Picolinic acid, 5-propyl-
CID 217663
5-(3-Methylbutyl)-2-pyridinecarboxylic acid
CID 39522
Picolinic acid, 5-octyl-
CID 213487
5-(trifluoromethyl)pyridine-2-carboxylic Acid
CID 10910349
5-Ethynylpyridine-2-carboxylic acid
CID 568581

Frequently Asked Questions

What is the IUPAC name of 5-[[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid (CID 81096371) is 5-[[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid is CC1CC1CN(C)C(=O)NCc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is RUXNZGWCWBGBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-5-11(9)8-17(2)14(20)16-7-10-3-4-12(13(18)19)15-6-10/h3-4,6,9,11H,5,7-8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 5-[[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid?
5-[[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81096371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).