N-[6-(2-tert-butylanilino)-3-pyridinyl]-2-ethylbutanamide

C21H29N3O — CID 113018058

IUPACN-[6-(2-tert-butylanilino)-3-pyridinyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(Nc2ccccc2C(C)(C)C)nc1
InChIInChI=1S/C21H29N3O/c1-6-15(7-2)20(25)23-16-12-13-19(22-14-16)24-18-11-9-8-10-17(18)21(3,4)5/h8-15H,6-7H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyNIVHKQCMGRTCKE-UHFFFAOYSA-N
MW339.48 g/mol
LogP5.50
Rot. Bonds6

About N-[6-(2-tert-butylanilino)-3-pyridinyl]-2-ethylbutanamide

N-[6-(2-tert-butylanilino)-3-pyridinyl]-2-ethylbutanamide (PubChem CID 113018058) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[6-(2-tert-butylanilino)-3-pyridinyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[6-(2-tert-butylanilino)-3-pyridinyl]-2-ethylbutanamide
PubChem CID113018058
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-[6-(2-tert-butylanilino)-3-pyridinyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(Nc2ccccc2C(C)(C)C)nc1
InChIInChI=1S/C21H29N3O/c1-6-15(7-2)20(25)23-16-12-13-19(22-14-16)24-18-11-9-8-10-17(18)21(3,4)5/h8-15H,6-7H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyNIVHKQCMGRTCKE-UHFFFAOYSA-N
XLogP5.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[6-(2-tert-butylanilino)-3-pyridinyl]carbamate
CID 113018094
1-[6-(2-tert-butylanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113018099
2-ethyl-N-[6-(methylamino)-3-pyridinyl]butanamide
CID 115268467
2-ethyl-N-[6-(propylamino)-3-pyridinyl]butanamide
CID 113009034
N-[6-[4-(dimethylamino)anilino]-3-pyridinyl]-2-ethylbutanamide
CID 113020858
1-[6-(2-tert-butylanilino)-3-pyridinyl]-3-cyclohexylurea
CID 113018093
2-ethyl-N-[6-(3-methylanilino)-3-pyridinyl]butanamide
CID 113016204
2-ethyl-N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide
CID 28903437
ethyl N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
CID 113020178
2-ethyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]butanamide
CID 113012657
2-ethyl-N-[6-(3-fluoroanilino)-3-pyridinyl]butanamide
CID 113021263
2-ethyl-N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]butanamide
CID 113012347

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-tert-butylanilino)-3-pyridinyl]-2-ethylbutanamide?
The IUPAC name of N-[6-(2-tert-butylanilino)-3-pyridinyl]-2-ethylbutanamide (CID 113018058) is N-[6-(2-tert-butylanilino)-3-pyridinyl]-2-ethylbutanamide.
What is the SMILES notation for N-[6-(2-tert-butylanilino)-3-pyridinyl]-2-ethylbutanamide?
The canonical SMILES for N-[6-(2-tert-butylanilino)-3-pyridinyl]-2-ethylbutanamide is CCC(CC)C(=O)Nc1ccc(Nc2ccccc2C(C)(C)C)nc1.
What is the InChIKey of N-[6-(2-tert-butylanilino)-3-pyridinyl]-2-ethylbutanamide?
The InChIKey is NIVHKQCMGRTCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-6-15(7-2)20(25)23-16-12-13-19(22-14-16)24-18-11-9-8-10-17(18)21(3,4)5/h8-15H,6-7H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N-[6-(2-tert-butylanilino)-3-pyridinyl]-2-ethylbutanamide?
N-[6-(2-tert-butylanilino)-3-pyridinyl]-2-ethylbutanamide has a molecular weight of 339.48 g/mol, XLogP of 5.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-tert-butylanilino)-3-pyridinyl]-2-ethylbutanamide is sourced from PubChem (CID 113018058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).