N-[6-(4-tert-butylanilino)pyridazin-3-yl]-3-methylbutanamide

C19H26N4O — CID 113047111

IUPACN-[6-(4-tert-butylanilino)pyridazin-3-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(Nc2ccc(C(C)(C)C)cc2)nn1
InChIInChI=1S/C19H26N4O/c1-13(2)12-18(24)21-17-11-10-16(22-23-17)20-15-8-6-14(7-9-15)19(3,4)5/h6-11,13H,12H2,1-5H3,(H,20,22)(H,21,23,24)
InChIKeyOPVUHBFENIUQQX-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.50
Rot. Bonds5

About N-[6-(4-tert-butylanilino)pyridazin-3-yl]-3-methylbutanamide

N-[6-(4-tert-butylanilino)pyridazin-3-yl]-3-methylbutanamide (PubChem CID 113047111) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[6-(4-tert-butylanilino)pyridazin-3-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[6-(4-tert-butylanilino)pyridazin-3-yl]-3-methylbutanamide
PubChem CID113047111
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[6-(4-tert-butylanilino)pyridazin-3-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(Nc2ccc(C(C)(C)C)cc2)nn1
InChIInChI=1S/C19H26N4O/c1-13(2)12-18(24)21-17-11-10-16(22-23-17)20-15-8-6-14(7-9-15)19(3,4)5/h6-11,13H,12H2,1-5H3,(H,20,22)(H,21,23,24)
InChIKeyOPVUHBFENIUQQX-UHFFFAOYSA-N
XLogP4.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-tert-butylanilino)pyridazin-3-yl]propanamide
CID 113047106
N-[6-(4-acetylanilino)pyridazin-3-yl]-3-methylbutanamide
CID 113049126
3-methyl-N-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]phenyl]butanamide
CID 133433466
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-3-methylbutanamide
CID 113050208
N-[6-(butylamino)pyridazin-3-yl]-3-methylbutanamide
CID 113038313
3-methyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]butanamide
CID 113038178
4-tert-butyl-N-[6-(4-cyanoanilino)pyridazin-3-yl]benzamide
CID 113051326
1-N,2-N,3-N,4-N-tetrakis(4-tert-butylphenyl)butane-1,2,3,4-tetracarboxamide
CID 67992353
3-methyl-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]butanamide
CID 113042195
1-(4-tert-butylphenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 122289294
N-[6-(4-tert-butylanilino)pyridazin-3-yl]methanesulfonamide
CID 113047127
6-(4-acetylanilino)-N-(4-tert-butylphenyl)pyridazine-3-carboxamide
CID 109128335

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-tert-butylanilino)pyridazin-3-yl]-3-methylbutanamide?
The IUPAC name of N-[6-(4-tert-butylanilino)pyridazin-3-yl]-3-methylbutanamide (CID 113047111) is N-[6-(4-tert-butylanilino)pyridazin-3-yl]-3-methylbutanamide.
What is the SMILES notation for N-[6-(4-tert-butylanilino)pyridazin-3-yl]-3-methylbutanamide?
The canonical SMILES for N-[6-(4-tert-butylanilino)pyridazin-3-yl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(Nc2ccc(C(C)(C)C)cc2)nn1.
What is the InChIKey of N-[6-(4-tert-butylanilino)pyridazin-3-yl]-3-methylbutanamide?
The InChIKey is OPVUHBFENIUQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13(2)12-18(24)21-17-11-10-16(22-23-17)20-15-8-6-14(7-9-15)19(3,4)5/h6-11,13H,12H2,1-5H3,(H,20,22)(H,21,23,24).
What are the key properties of N-[6-(4-tert-butylanilino)pyridazin-3-yl]-3-methylbutanamide?
N-[6-(4-tert-butylanilino)pyridazin-3-yl]-3-methylbutanamide has a molecular weight of 326.44 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-tert-butylanilino)pyridazin-3-yl]-3-methylbutanamide is sourced from PubChem (CID 113047111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).