2-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]pyridine-4-carboxylic acid

C13H20N4O3 — CID 114325323

IUPAC2-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]pyridine-4-carboxylic acid
SMILESCN(C)CCN(C)C(=O)NCc1cc(C(=O)O)ccn1
InChIInChI=1S/C13H20N4O3/c1-16(2)6-7-17(3)13(20)15-9-11-8-10(12(18)19)4-5-14-11/h4-5,8H,6-7,9H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyFDEFTPHAHPWAPN-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.48
Rot. Bonds6

About 2-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]pyridine-4-carboxylic acid

2-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]pyridine-4-carboxylic acid (PubChem CID 114325323) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]pyridine-4-carboxylic acid
PubChem CID114325323
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]pyridine-4-carboxylic acid
SMILESCN(C)CCN(C)C(=O)NCc1cc(C(=O)O)ccn1
InChIInChI=1S/C13H20N4O3/c1-16(2)6-7-17(3)13(20)15-9-11-8-10(12(18)19)4-5-14-11/h4-5,8H,6-7,9H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyFDEFTPHAHPWAPN-UHFFFAOYSA-N
XLogP0.48
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid
CID 114325372
2-[[[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]amino]methyl]pyridine-4-carboxylic acid
CID 106916966
2-[[[2-ethoxyethyl(methyl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid
CID 114325401
2-[[[cyclopentylmethyl(methyl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid
CID 114325320
N-[2-(dimethylamino)ethyl]-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide
CID 112520177
2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 84676605
2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid
CID 82937508
2-[[(2-acetamidoacetyl)amino]methyl]pyridine-4-carboxylic acid
CID 113277490
2-(acetamidomethyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 112520173
2-[(cyclopropanecarbonylamino)methyl]pyridine-4-carboxylic acid
CID 112532887
2-[(butan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 113277661
N-[2-(dimethylamino)ethyl]-2-fluoro-N-methylpyridine-4-carboxamide
CID 63693462

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]pyridine-4-carboxylic acid (CID 114325323) is 2-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]pyridine-4-carboxylic acid is CN(C)CCN(C)C(=O)NCc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]pyridine-4-carboxylic acid?
The InChIKey is FDEFTPHAHPWAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-16(2)6-7-17(3)13(20)15-9-11-8-10(12(18)19)4-5-14-11/h4-5,8H,6-7,9H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 2-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]pyridine-4-carboxylic acid?
2-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]pyridine-4-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114325323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).