N-[6-(difluoromethoxy)-3-pyridinyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide

C15H18F2N4O2 — CID 138993474

IUPACN-[6-(difluoromethoxy)-3-pyridinyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
SMILESCc1n[nH]c(C)c1C(C)CC(=O)Nc1ccc(OC(F)F)nc1
InChIInChI=1S/C15H18F2N4O2/c1-8(14-9(2)20-21-10(14)3)6-12(22)19-11-4-5-13(18-7-11)23-15(16)17/h4-5,7-8,15H,6H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyMMFKOENYVWAART-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.16
Rot. Bonds6

About N-[6-(difluoromethoxy)-3-pyridinyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide

N-[6-(difluoromethoxy)-3-pyridinyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide (PubChem CID 138993474) has the molecular formula C15H18F2N4O2 and a molecular weight of 324.33 g/mol. Its IUPAC name is N-[6-(difluoromethoxy)-3-pyridinyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound NameN-[6-(difluoromethoxy)-3-pyridinyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
PubChem CID138993474
Molecular FormulaC15H18F2N4O2
Molecular Weight324.33 g/mol
Exact Mass324.14
IUPAC NameN-[6-(difluoromethoxy)-3-pyridinyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
SMILESCc1n[nH]c(C)c1C(C)CC(=O)Nc1ccc(OC(F)F)nc1
InChIInChI=1S/C15H18F2N4O2/c1-8(14-9(2)20-21-10(14)3)6-12(22)19-11-4-5-13(18-7-11)23-15(16)17/h4-5,7-8,15H,6H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyMMFKOENYVWAART-UHFFFAOYSA-N
XLogP3.16
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide
CID 138996177
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanoate
CID 97246701
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-ethyl-2,3-dihydroindol-6-yl)butanamide
CID 84594643
3-[[6-(difluoromethoxy)-3-pyridinyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122093034
(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-pyridin-4-ylpropyl]butanamide
CID 97329837
2-[4-(difluoromethoxy)phenyl]-N-(6-methoxy-3-pyridinyl)acetamide
CID 33142873
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide
CID 110179642
6-(difluoromethoxy)-N-methylpyridin-3-amine
CID 122647422
(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]butanamide
CID 97099240
(3S)-N-[(4-chloro-2-pyridinyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
CID 97336644
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-propan-2-yloxy-3-pyridinyl)propanamide
CID 75461759
4-amino-N-(6-ethoxy-3-pyridinyl)-3-methylbutanamide
CID 81080925

Frequently Asked Questions

What is the IUPAC name of N-[6-(difluoromethoxy)-3-pyridinyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide?
The IUPAC name of N-[6-(difluoromethoxy)-3-pyridinyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide (CID 138993474) is N-[6-(difluoromethoxy)-3-pyridinyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for N-[6-(difluoromethoxy)-3-pyridinyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide?
The canonical SMILES for N-[6-(difluoromethoxy)-3-pyridinyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide is Cc1n[nH]c(C)c1C(C)CC(=O)Nc1ccc(OC(F)F)nc1.
What is the InChIKey of N-[6-(difluoromethoxy)-3-pyridinyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide?
The InChIKey is MMFKOENYVWAART-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O2/c1-8(14-9(2)20-21-10(14)3)6-12(22)19-11-4-5-13(18-7-11)23-15(16)17/h4-5,7-8,15H,6H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-[6-(difluoromethoxy)-3-pyridinyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide?
N-[6-(difluoromethoxy)-3-pyridinyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide has a molecular weight of 324.33 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(difluoromethoxy)-3-pyridinyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 138993474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).