N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(furan-2-yl)propanamide

C17H18N4O2 — CID 43071070

IUPACN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(furan-2-yl)propanamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)CCc3ccco3)cn2)n1
InChIInChI=1S/C17H18N4O2/c1-12-10-13(2)21(20-12)16-7-5-14(11-18-16)19-17(22)8-6-15-4-3-9-23-15/h3-5,7,9-11H,6,8H2,1-2H3,(H,19,22)
InChIKeyTXXYCCYVYVXDMG-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.05
Rot. Bonds5

About N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(furan-2-yl)propanamide

N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(furan-2-yl)propanamide (PubChem CID 43071070) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(furan-2-yl)propanamide
PubChem CID43071070
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(furan-2-yl)propanamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)CCc3ccco3)cn2)n1
InChIInChI=1S/C17H18N4O2/c1-12-10-13(2)21(20-12)16-7-5-14(11-18-16)19-17(22)8-6-15-4-3-9-23-15/h3-5,7,9-11H,6,8H2,1-2H3,(H,19,22)
InChIKeyTXXYCCYVYVXDMG-UHFFFAOYSA-N
XLogP3.05
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 31923776
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 31907855
4-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pentanamide;dihydrochloride
CID 120564625
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 46483596
N-[(2R)-1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 51873889
2-[5-[3-(furan-2-yl)propanoylamino]-2-pyridinyl]acetic acid
CID 107338969
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(2-methylindol-1-yl)acetamide
CID 43064755
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2-nitroanilino)propanamide
CID 46436330
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 43071074
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 43064323
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38420472
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-phenylcyclopropane-1-carboxamide
CID 31908123

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(furan-2-yl)propanamide (CID 43071070) is N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(furan-2-yl)propanamide is Cc1cc(C)n(-c2ccc(NC(=O)CCc3ccco3)cn2)n1.
What is the InChIKey of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(furan-2-yl)propanamide?
The InChIKey is TXXYCCYVYVXDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12-10-13(2)21(20-12)16-7-5-14(11-18-16)19-17(22)8-6-15-4-3-9-23-15/h3-5,7,9-11H,6,8H2,1-2H3,(H,19,22).
What are the key properties of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(furan-2-yl)propanamide?
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(furan-2-yl)propanamide has a molecular weight of 310.36 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 43071070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).