2-(tert-butylamino)-1-[6-(4-chlorophenyl)-2-pyridinyl]ethanone

C17H19ClN2O — CID 156508535

IUPAC2-(tert-butylamino)-1-[6-(4-chlorophenyl)-2-pyridinyl]ethanone
SMILESCC(C)(C)NCC(=O)c1cccc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H19ClN2O/c1-17(2,3)19-11-16(21)15-6-4-5-14(20-15)12-7-9-13(18)10-8-12/h4-10,19H,11H2,1-3H3
InChIKeyHCTOBSZSHGQVRB-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.97
Rot. Bonds4

About 2-(tert-butylamino)-1-[6-(4-chlorophenyl)-2-pyridinyl]ethanone

2-(tert-butylamino)-1-[6-(4-chlorophenyl)-2-pyridinyl]ethanone (PubChem CID 156508535) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-[6-(4-chlorophenyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-(tert-butylamino)-1-[6-(4-chlorophenyl)-2-pyridinyl]ethanone
PubChem CID156508535
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-(tert-butylamino)-1-[6-(4-chlorophenyl)-2-pyridinyl]ethanone
SMILESCC(C)(C)NCC(=O)c1cccc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H19ClN2O/c1-17(2,3)19-11-16(21)15-6-4-5-14(20-15)12-7-9-13(18)10-8-12/h4-10,19H,11H2,1-3H3
InChIKeyHCTOBSZSHGQVRB-UHFFFAOYSA-N
XLogP3.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(4-tert-butylphenyl)-2-pyridinyl]ethanone
CID 118588185
6-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 22557494
6-[4-(chloromethyl)phenyl]pyridine-2-carbonyl chloride
CID 59290909
2-(tert-butylamino)-N-[(4-chlorophenyl)methyl]acetamide
CID 78907391
6-(4-chlorophenyl)-N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 167451022
ethyl (E)-3-[3-[[6-(4-chlorophenyl)pyridine-2-carbonyl]amino]phenyl]prop-2-enoate
CID 59654858
6-(3,5-dichlorophenyl)pyridine-2-carboxylic acid
CID 24730153
2-(tert-butylamino)-1-(2,3,4-trifluorophenyl)ethanone
CID 116588949
6-(4-chlorophenyl)-2-methylpyridine-3-carbohydrazide
CID 53433276
methyl 6-pyridin-4-ylpyridine-2-carboxylate
CID 46317482
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
CID 31948630
2-[6-(4-chlorophenyl)-2-pyridinyl]ethanamine
CID 83713592

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-[6-(4-chlorophenyl)-2-pyridinyl]ethanone?
The IUPAC name of 2-(tert-butylamino)-1-[6-(4-chlorophenyl)-2-pyridinyl]ethanone (CID 156508535) is 2-(tert-butylamino)-1-[6-(4-chlorophenyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 2-(tert-butylamino)-1-[6-(4-chlorophenyl)-2-pyridinyl]ethanone?
The canonical SMILES for 2-(tert-butylamino)-1-[6-(4-chlorophenyl)-2-pyridinyl]ethanone is CC(C)(C)NCC(=O)c1cccc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(tert-butylamino)-1-[6-(4-chlorophenyl)-2-pyridinyl]ethanone?
The InChIKey is HCTOBSZSHGQVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-17(2,3)19-11-16(21)15-6-4-5-14(20-15)12-7-9-13(18)10-8-12/h4-10,19H,11H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-1-[6-(4-chlorophenyl)-2-pyridinyl]ethanone?
2-(tert-butylamino)-1-[6-(4-chlorophenyl)-2-pyridinyl]ethanone has a molecular weight of 302.81 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-[6-(4-chlorophenyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 156508535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).