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

C18H19N5O3 — CID 31923776

IUPACN-[3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-oxopropyl]furan-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)CCNC(=O)c3ccco3)cn2)n1
InChIInChI=1S/C18H19N5O3/c1-12-10-13(2)23(22-12)16-6-5-14(11-20-16)21-17(24)7-8-19-18(25)15-4-3-9-26-15/h3-6,9-11H,7-8H2,1-2H3,(H,19,25)(H,21,24)
InChIKeyZZBIZTGOEQZICI-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.24
Rot. Bonds6

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

N-[3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 31923776) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-oxopropyl]furan-2-carboxamide
PubChem CID31923776
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-[3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-oxopropyl]furan-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)CCNC(=O)c3ccco3)cn2)n1
InChIInChI=1S/C18H19N5O3/c1-12-10-13(2)23(22-12)16-6-5-14(11-20-16)21-17(24)7-8-19-18(25)15-4-3-9-26-15/h3-6,9-11H,7-8H2,1-2H3,(H,19,25)(H,21,24)
InChIKeyZZBIZTGOEQZICI-UHFFFAOYSA-N
XLogP2.24
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 31907855
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(furan-2-yl)propanamide
CID 43071070
N-[(2R)-1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 51873889
N-[4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butyl]furan-2-carboxamide
CID 30267377
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-nitroanilino)propanamide
CID 46436330
N-[2-oxo-2-[(6-piperidin-1-yl-3-pyridinyl)amino]ethyl]furan-2-carboxamide
CID 18144018
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38420472
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 46483596
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(methylsulfonylmethyl)benzamide
CID 43072017
N-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-4-oxobutyl]furan-2-carboxamide
CID 43036802
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]furan-2-carboxamide
CID 122305413

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-oxopropyl]furan-2-carboxamide (CID 31923776) is N-[3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-oxopropyl]furan-2-carboxamide is Cc1cc(C)n(-c2ccc(NC(=O)CCNC(=O)c3ccco3)cn2)n1.
What is the InChIKey of N-[3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is ZZBIZTGOEQZICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-12-10-13(2)23(22-12)16-6-5-14(11-20-16)21-17(24)7-8-19-18(25)15-4-3-9-26-15/h3-6,9-11H,7-8H2,1-2H3,(H,19,25)(H,21,24).
What are the key properties of N-[3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 31923776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).