N-[3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)butan-2-yl]furan-2-carboxamide

C16H17N5O3 — CID 51079271

IUPACN-[3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)butan-2-yl]furan-2-carboxamide
SMILESCC(C)C(NC(=O)c1ccco1)C(=O)Nc1nnc2ccccn12
InChIInChI=1S/C16H17N5O3/c1-10(2)13(17-14(22)11-6-5-9-24-11)15(23)18-16-20-19-12-7-3-4-8-21(12)16/h3-10,13H,1-2H3,(H,17,22)(H,18,20,23)
InChIKeyRDNUUJRHOUMKPH-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.72
Rot. Bonds5

About N-[3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)butan-2-yl]furan-2-carboxamide

N-[3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)butan-2-yl]furan-2-carboxamide (PubChem CID 51079271) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)butan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)butan-2-yl]furan-2-carboxamide
PubChem CID51079271
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC NameN-[3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)butan-2-yl]furan-2-carboxamide
SMILESCC(C)C(NC(=O)c1ccco1)C(=O)Nc1nnc2ccccn12
InChIInChI=1S/C16H17N5O3/c1-10(2)13(17-14(22)11-6-5-9-24-11)15(23)18-16-20-19-12-7-3-4-8-21(12)16/h3-10,13H,1-2H3,(H,17,22)(H,18,20,23)
InChIKeyRDNUUJRHOUMKPH-UHFFFAOYSA-N
XLogP1.72
TPSA101.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)butan-2-yl]furan-2-carboxamide
CID 31282646
N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
CID 42536093
N-[3-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]furan-2-carboxamide
CID 51154431
N-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 44782479
1-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 95771338
1-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 97225076
N-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]furan-2-carboxamide
CID 7611111
(2S)-2-benzylsulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 51958568
N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]furan-2-carboxamide
CID 9138688
N-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 51279310
N-[(2R)-3-methyl-1-oxo-1-(1H-1,2,4-triazol-5-ylamino)butan-2-yl]furan-2-carboxamide
CID 30866106
N-[1-[[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51268666

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)butan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)butan-2-yl]furan-2-carboxamide (CID 51079271) is N-[3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)butan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)butan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)butan-2-yl]furan-2-carboxamide is CC(C)C(NC(=O)c1ccco1)C(=O)Nc1nnc2ccccn12.
What is the InChIKey of N-[3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)butan-2-yl]furan-2-carboxamide?
The InChIKey is RDNUUJRHOUMKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-10(2)13(17-14(22)11-6-5-9-24-11)15(23)18-16-20-19-12-7-3-4-8-21(12)16/h3-10,13H,1-2H3,(H,17,22)(H,18,20,23).
What are the key properties of N-[3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)butan-2-yl]furan-2-carboxamide?
N-[3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)butan-2-yl]furan-2-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)butan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 51079271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).