N-[5-(tert-butylamino)-2-pyridinyl]-2-chlorobenzamide

C16H18ClN3O — CID 113030002

IUPACN-[5-(tert-butylamino)-2-pyridinyl]-2-chlorobenzamide
SMILESCC(C)(C)Nc1ccc(NC(=O)c2ccccc2Cl)nc1
InChIInChI=1S/C16H18ClN3O/c1-16(2,3)20-11-8-9-14(18-10-11)19-15(21)12-6-4-5-7-13(12)17/h4-10,20H,1-3H3,(H,18,19,21)
InChIKeyBWSYKWHFOUFIKK-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.20
Rot. Bonds3

About N-[5-(tert-butylamino)-2-pyridinyl]-2-chlorobenzamide

N-[5-(tert-butylamino)-2-pyridinyl]-2-chlorobenzamide (PubChem CID 113030002) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[5-(tert-butylamino)-2-pyridinyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[5-(tert-butylamino)-2-pyridinyl]-2-chlorobenzamide
PubChem CID113030002
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-[5-(tert-butylamino)-2-pyridinyl]-2-chlorobenzamide
SMILESCC(C)(C)Nc1ccc(NC(=O)c2ccccc2Cl)nc1
InChIInChI=1S/C16H18ClN3O/c1-16(2,3)20-11-8-9-14(18-10-11)19-15(21)12-6-4-5-7-13(12)17/h4-10,20H,1-3H3,(H,18,19,21)
InChIKeyBWSYKWHFOUFIKK-UHFFFAOYSA-N
XLogP4.20
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(tert-butylamino)-2-pyridinyl]-2-fluorobenzamide
CID 113029972
N-(5-acetamido-2-pyridinyl)-2-chlorobenzamide
CID 1449171
2-chloro-N-[6-(pentylamino)-3-pyridinyl]benzamide
CID 113015233
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-chlorobenzamide
CID 113020563
2-bromo-N-[6-(tert-butylamino)-3-pyridinyl]benzamide
CID 113014773
2-chloro-N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]benzamide
CID 113012299
N-[6-(tert-butylamino)-3-pyridinyl]-2-methoxybenzamide
CID 113014776
2-chloro-N-[6-(3-hydroxypropylamino)-3-pyridinyl]benzamide
CID 28901836
methyl 3-[[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113035339
N-[5-(2,3-dichloroanilino)-2-pyridinyl]-2-methoxybenzamide
CID 113036860
2-methyl-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023425
2-chloro-N-isoquinolin-3-ylbenzamide
CID 5237288

Frequently Asked Questions

What is the IUPAC name of N-[5-(tert-butylamino)-2-pyridinyl]-2-chlorobenzamide?
The IUPAC name of N-[5-(tert-butylamino)-2-pyridinyl]-2-chlorobenzamide (CID 113030002) is N-[5-(tert-butylamino)-2-pyridinyl]-2-chlorobenzamide.
What is the SMILES notation for N-[5-(tert-butylamino)-2-pyridinyl]-2-chlorobenzamide?
The canonical SMILES for N-[5-(tert-butylamino)-2-pyridinyl]-2-chlorobenzamide is CC(C)(C)Nc1ccc(NC(=O)c2ccccc2Cl)nc1.
What is the InChIKey of N-[5-(tert-butylamino)-2-pyridinyl]-2-chlorobenzamide?
The InChIKey is BWSYKWHFOUFIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-16(2,3)20-11-8-9-14(18-10-11)19-15(21)12-6-4-5-7-13(12)17/h4-10,20H,1-3H3,(H,18,19,21).
What are the key properties of N-[5-(tert-butylamino)-2-pyridinyl]-2-chlorobenzamide?
N-[5-(tert-butylamino)-2-pyridinyl]-2-chlorobenzamide has a molecular weight of 303.79 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(tert-butylamino)-2-pyridinyl]-2-chlorobenzamide is sourced from PubChem (CID 113030002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).