N-[2-(tert-butylamino)-2-oxoethyl]-3-chloropyridine-4-carboxamide

C12H16ClN3O2 — CID 79079783

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-3-chloropyridine-4-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1ccncc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-12(2,3)16-10(17)7-15-11(18)8-4-5-14-6-9(8)13/h4-6H,7H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyDQTQMVCNIULHFW-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.38
Rot. Bonds3

About N-[2-(tert-butylamino)-2-oxoethyl]-3-chloropyridine-4-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-3-chloropyridine-4-carboxamide (PubChem CID 79079783) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-3-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-3-chloropyridine-4-carboxamide
PubChem CID79079783
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-3-chloropyridine-4-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1ccncc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-12(2,3)16-10(17)7-15-11(18)8-4-5-14-6-9(8)13/h4-6H,7H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyDQTQMVCNIULHFW-UHFFFAOYSA-N
XLogP1.38
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-4-hydrazinylpyridine-3-carboxamide
CID 115357279
3-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66464016
2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-chloropyridine-4-carboxamide
CID 114924235
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-4-carboxamide
CID 66481995
3-chloro-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 115667227
N-[2-(tert-butylamino)-2-oxoethyl]-2-chloropyridine-3-carboxamide
CID 26456826
3-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]pyridine-4-carboxamide
CID 104920297
3-chloro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 66482781
3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide
CID 66464589
3-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide
CID 114942605
3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxamide
CID 112695851
3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide
CID 103714844

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-chloropyridine-4-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-chloropyridine-4-carboxamide (CID 79079783) is N-[2-(tert-butylamino)-2-oxoethyl]-3-chloropyridine-4-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-3-chloropyridine-4-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-3-chloropyridine-4-carboxamide is CC(C)(C)NC(=O)CNC(=O)c1ccncc1Cl.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-3-chloropyridine-4-carboxamide?
The InChIKey is DQTQMVCNIULHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-12(2,3)16-10(17)7-15-11(18)8-4-5-14-6-9(8)13/h4-6H,7H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-3-chloropyridine-4-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloropyridine-4-carboxamide has a molecular weight of 269.73 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-3-chloropyridine-4-carboxamide is sourced from PubChem (CID 79079783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).