N-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide

C11H15ClN4O2 — CID 114922273

IUPACN-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCNC(C)=O)c(Cl)cn1
InChIInChI=1S/C11H15ClN4O2/c1-7(17)14-3-4-15-11(18)8-5-10(13-2)16-6-9(8)12/h5-6H,3-4H2,1-2H3,(H,13,16)(H,14,17)(H,15,18)
InChIKeyUHNABSUUWJQQLG-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.64
Rot. Bonds5

About N-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide

N-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide (PubChem CID 114922273) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
PubChem CID114922273
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC NameN-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCNC(C)=O)c(Cl)cn1
InChIInChI=1S/C11H15ClN4O2/c1-7(17)14-3-4-15-11(18)8-5-10(13-2)16-6-9(8)12/h5-6H,3-4H2,1-2H3,(H,13,16)(H,14,17)(H,15,18)
InChIKeyUHNABSUUWJQQLG-UHFFFAOYSA-N
XLogP0.64
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924347
5-chloro-N-(2-cyclobutylethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924528
N-[3-(tert-butylamino)-3-oxopropyl]-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114924429
5-chloro-N-(2,2-difluoroethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924242
5-chloro-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 114922352
5-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924409
5-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924673
5-chloro-2-(methylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
CID 106422895
5-chloro-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 114923493
5-chloro-N-cyclobutyl-2-(methylamino)pyridine-4-carboxamide
CID 114923292
5-chloro-N-(2-cyclopropylpropyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924516
5-chloro-2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 114923162

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide (CID 114922273) is N-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)NCCNC(C)=O)c(Cl)cn1.
What is the InChIKey of N-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is UHNABSUUWJQQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-7(17)14-3-4-15-11(18)8-5-10(13-2)16-6-9(8)12/h5-6H,3-4H2,1-2H3,(H,13,16)(H,14,17)(H,15,18).
What are the key properties of N-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide?
N-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 270.72 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114922273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).