2-(acetamidomethyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide

C13H20N4O2 — CID 112520173

IUPAC2-(acetamidomethyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
SMILESCC(=O)NCc1cc(C(=O)NCCN(C)C)ccn1
InChIInChI=1S/C13H20N4O2/c1-10(18)16-9-12-8-11(4-5-14-12)13(19)15-6-7-17(2)3/h4-5,8H,6-7,9H2,1-3H3,(H,15,19)(H,16,18)
InChIKeyBGUVPUZCEMNGSC-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.01
Rot. Bonds6

About 2-(acetamidomethyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide

2-(acetamidomethyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide (PubChem CID 112520173) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(acetamidomethyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(acetamidomethyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
PubChem CID112520173
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-(acetamidomethyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
SMILESCC(=O)NCc1cc(C(=O)NCCN(C)C)ccn1
InChIInChI=1S/C13H20N4O2/c1-10(18)16-9-12-8-11(4-5-14-12)13(19)15-6-7-17(2)3/h4-5,8H,6-7,9H2,1-3H3,(H,15,19)(H,16,18)
InChIKeyBGUVPUZCEMNGSC-UHFFFAOYSA-N
XLogP0.01
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide
CID 112520177
N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 61294521
2-(dimethylamino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 84574435
2-(acetamidomethyl)-N-(2-methylpyrimidin-5-yl)pyridine-4-carboxamide
CID 112524228
2-(acetamidomethyl)-N-pyrimidin-4-ylpyridine-4-carboxamide
CID 112524302
2-(acetamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 112530809
2-[[(2-acetamidoacetyl)amino]methyl]pyridine-4-carboxylic acid
CID 113277490
N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109167778
2-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]pyridine-4-carboxylic acid
CID 114325323
4-N-[2-(dimethylamino)ethyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082641
2-(acetamidomethyl)-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 112520426

Frequently Asked Questions

What is the IUPAC name of 2-(acetamidomethyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(acetamidomethyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide (CID 112520173) is 2-(acetamidomethyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(acetamidomethyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(acetamidomethyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide is CC(=O)NCc1cc(C(=O)NCCN(C)C)ccn1.
What is the InChIKey of 2-(acetamidomethyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide?
The InChIKey is BGUVPUZCEMNGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10(18)16-9-12-8-11(4-5-14-12)13(19)15-6-7-17(2)3/h4-5,8H,6-7,9H2,1-3H3,(H,15,19)(H,16,18).
What are the key properties of 2-(acetamidomethyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide?
2-(acetamidomethyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(acetamidomethyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 112520173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).