N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-4-pyrazol-1-ylbutanamide

C18H26N4O — CID 135110911

IUPACN-(3,3-dimethyl-1-pyridin-3-ylbutyl)-4-pyrazol-1-ylbutanamide
SMILESCC(C)(C)CC(NC(=O)CCCn1cccn1)c1cccnc1
InChIInChI=1S/C18H26N4O/c1-18(2,3)13-16(15-7-4-9-19-14-15)21-17(23)8-5-11-22-12-6-10-20-22/h4,6-7,9-10,12,14,16H,5,8,11,13H2,1-3H3,(H,21,23)
InChIKeyRKKYSUNYKJLHCH-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.35
Rot. Bonds7

About N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-4-pyrazol-1-ylbutanamide

N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-4-pyrazol-1-ylbutanamide (PubChem CID 135110911) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-4-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-1-pyridin-3-ylbutyl)-4-pyrazol-1-ylbutanamide
PubChem CID135110911
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN-(3,3-dimethyl-1-pyridin-3-ylbutyl)-4-pyrazol-1-ylbutanamide
SMILESCC(C)(C)CC(NC(=O)CCCn1cccn1)c1cccnc1
InChIInChI=1S/C18H26N4O/c1-18(2,3)13-16(15-7-4-9-19-14-15)21-17(23)8-5-11-22-12-6-10-20-22/h4,6-7,9-10,12,14,16H,5,8,11,13H2,1-3H3,(H,21,23)
InChIKeyRKKYSUNYKJLHCH-UHFFFAOYSA-N
XLogP3.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 125165548
N-(2-hydroxy-1-phenylethyl)-4-pyrazol-1-ylbutanamide
CID 91638874
2-(5-aminotetrazol-1-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)acetamide
CID 91778729
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
CID 91834910
4-pyrazol-1-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 94345249
4-(2-pyrazol-1-ylethyl)-N-(1-pyridin-3-ylpropyl)piperidine-1-carboxamide
CID 122565648
2-pyrazol-1-yl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide
CID 110222101
N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 125168942
3-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]-1-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]urea
CID 125438272
2-(propanoylamino)-2-pyridin-3-ylacetic acid
CID 82077606
N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-pyrazol-1-ylbutanamide
CID 96550907
1-[[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide
CID 125443026

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-4-pyrazol-1-ylbutanamide?
The IUPAC name of N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-4-pyrazol-1-ylbutanamide (CID 135110911) is N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-4-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-4-pyrazol-1-ylbutanamide?
The canonical SMILES for N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-4-pyrazol-1-ylbutanamide is CC(C)(C)CC(NC(=O)CCCn1cccn1)c1cccnc1.
What is the InChIKey of N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-4-pyrazol-1-ylbutanamide?
The InChIKey is RKKYSUNYKJLHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-18(2,3)13-16(15-7-4-9-19-14-15)21-17(23)8-5-11-22-12-6-10-20-22/h4,6-7,9-10,12,14,16H,5,8,11,13H2,1-3H3,(H,21,23).
What are the key properties of N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-4-pyrazol-1-ylbutanamide?
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-4-pyrazol-1-ylbutanamide has a molecular weight of 314.43 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-4-pyrazol-1-ylbutanamide is sourced from PubChem (CID 135110911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).