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

C20H23N5O3 — CID 51873889

IUPACN-[(2R)-1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)[C@H](NC(=O)c3ccco3)C(C)C)cn2)n1
InChIInChI=1S/C20H23N5O3/c1-12(2)18(23-19(26)16-6-5-9-28-16)20(27)22-15-7-8-17(21-11-15)25-14(4)10-13(3)24-25/h5-12,18H,1-4H3,(H,22,27)(H,23,26)/t18-/m1/s1
InChIKeyWKTGXRASNGUGQL-GOSISDBHSA-N
MW381.44 g/mol
LogP2.87
Rot. Bonds6

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

N-[(2R)-1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 51873889) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[(2R)-1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID51873889
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[(2R)-1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)[C@H](NC(=O)c3ccco3)C(C)C)cn2)n1
InChIInChI=1S/C20H23N5O3/c1-12(2)18(23-19(26)16-6-5-9-28-16)20(27)22-15-7-8-17(21-11-15)25-14(4)10-13(3)24-25/h5-12,18H,1-4H3,(H,22,27)(H,23,26)/t18-/m1/s1
InChIKeyWKTGXRASNGUGQL-GOSISDBHSA-N
XLogP2.87
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 31907855
(2S)-2-acetamido-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-methylbutanamide
CID 31908169
N-[3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 31923776
3-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylbutanamide;dihydrochloride
CID 120502939
N-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]furan-2-carboxamide
CID 7611111
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(furan-2-yl)propanamide
CID 43071070
N-[3-methyl-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]butan-2-yl]furan-2-carboxamide
CID 46478211
N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]furan-2-carboxamide
CID 9138688
N-[1-(3-hydroxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 78783328
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]furan-2-carboxamide
CID 122305413
N-[3-methyl-1-oxo-1-(4-piperidin-1-ylanilino)butan-2-yl]furan-2-carboxamide
CID 42908988
6-(3,5-dimethylpyrazol-1-yl)-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 166228864

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2R)-1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (CID 51873889) is N-[(2R)-1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2R)-1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is Cc1cc(C)n(-c2ccc(NC(=O)[C@H](NC(=O)c3ccco3)C(C)C)cn2)n1.
What is the InChIKey of N-[(2R)-1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is WKTGXRASNGUGQL-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-12(2)18(23-19(26)16-6-5-9-28-16)20(27)22-15-7-8-17(21-11-15)25-14(4)10-13(3)24-25/h5-12,18H,1-4H3,(H,22,27)(H,23,26)/t18-/m1/s1.
What are the key properties of N-[(2R)-1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
N-[(2R)-1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 51873889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).