2-[[[6-(dimethylamino)pyridine-3-carbonyl]amino]methyl]butanoic acid

C13H19N3O3 — CID 65219660

IUPAC2-[[[6-(dimethylamino)pyridine-3-carbonyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)c1ccc(N(C)C)nc1)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-4-9(13(18)19)7-15-12(17)10-5-6-11(14-8-10)16(2)3/h5-6,8-9H,4,7H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyDORHMDDIAQGBFU-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.99
Rot. Bonds6

About 2-[[[6-(dimethylamino)pyridine-3-carbonyl]amino]methyl]butanoic acid

2-[[[6-(dimethylamino)pyridine-3-carbonyl]amino]methyl]butanoic acid (PubChem CID 65219660) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[[[6-(dimethylamino)pyridine-3-carbonyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[[6-(dimethylamino)pyridine-3-carbonyl]amino]methyl]butanoic acid
PubChem CID65219660
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[[[6-(dimethylamino)pyridine-3-carbonyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)c1ccc(N(C)C)nc1)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-4-9(13(18)19)7-15-12(17)10-5-6-11(14-8-10)16(2)3/h5-6,8-9H,4,7H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyDORHMDDIAQGBFU-UHFFFAOYSA-N
XLogP0.99
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[4-(dimethylamino)benzoyl]amino]methyl]butanoic acid
CID 65217567
6-(dimethylamino)-N-[2-(methylamino)propyl]pyridine-3-carboxamide
CID 120828209
N-(3-amino-2-methylpropyl)-6-(dimethylamino)pyridine-3-carboxamide
CID 119996612
6-(dimethylamino)-N-(2-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 103771018
N-(3-aminobutyl)-6-(dimethylamino)pyridine-3-carboxamide
CID 119497031
2-[[[4-[(dimethylamino)methyl]benzoyl]amino]methyl]butanoic acid
CID 65219407
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 110888066
2-[[[2-(dimethylamino)pyridine-4-carbonyl]amino]methyl]pentanoic acid
CID 65223408
6-(dimethylamino)-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
CID 79031520
6-(dimethylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 80707921
2-[[[3-(dimethylamino)benzoyl]amino]methyl]butanoic acid
CID 65217823
2-[[(4-acetamidobenzoyl)amino]methyl]butanoic acid
CID 65218021

Frequently Asked Questions

What is the IUPAC name of 2-[[[6-(dimethylamino)pyridine-3-carbonyl]amino]methyl]butanoic acid?
The IUPAC name of 2-[[[6-(dimethylamino)pyridine-3-carbonyl]amino]methyl]butanoic acid (CID 65219660) is 2-[[[6-(dimethylamino)pyridine-3-carbonyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[[6-(dimethylamino)pyridine-3-carbonyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-[[[6-(dimethylamino)pyridine-3-carbonyl]amino]methyl]butanoic acid is CCC(CNC(=O)c1ccc(N(C)C)nc1)C(=O)O.
What is the InChIKey of 2-[[[6-(dimethylamino)pyridine-3-carbonyl]amino]methyl]butanoic acid?
The InChIKey is DORHMDDIAQGBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-9(13(18)19)7-15-12(17)10-5-6-11(14-8-10)16(2)3/h5-6,8-9H,4,7H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[[6-(dimethylamino)pyridine-3-carbonyl]amino]methyl]butanoic acid?
2-[[[6-(dimethylamino)pyridine-3-carbonyl]amino]methyl]butanoic acid has a molecular weight of 265.31 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[6-(dimethylamino)pyridine-3-carbonyl]amino]methyl]butanoic acid is sourced from PubChem (CID 65219660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).