formic acid;N-[(1S,2S,4S)-2-hydroxy-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide

C19H23N7O6 — CID 163341444

IUPACformic acid;N-[(1S,2S,4S)-2-hydroxy-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
SMILESCc1noc(CN(C)C(=O)[C@H]2C[C@H](NC(=O)c3ccn4ncnc4c3)[C@@H](O)C2)n1.O=CO
InChIInChI=1S/C18H21N7O4.CH2O2/c1-10-21-16(29-23-10)8-24(2)18(28)12-5-13(14(26)6-12)22-17(27)11-3-4-25-15(7-11)19-9-20-25;2-1-3/h3-4,7,9,12-14,26H,5-6,8H2,1-2H3,(H,22,27);1H,(H,2,3)/t12-,13-,14-;/m0./s1
InChIKeyYKFMKEIXBULNCG-JKBZPBJLSA-N
MW445.44 g/mol
LogP-0.35
Rot. Bonds5

About formic acid;N-[(1S,2S,4S)-2-hydroxy-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide

formic acid;N-[(1S,2S,4S)-2-hydroxy-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 163341444) has the molecular formula C19H23N7O6 and a molecular weight of 445.44 g/mol. Its IUPAC name is formic acid;N-[(1S,2S,4S)-2-hydroxy-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound Nameformic acid;N-[(1S,2S,4S)-2-hydroxy-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
PubChem CID163341444
Molecular FormulaC19H23N7O6
Molecular Weight445.44 g/mol
Exact Mass445.17
IUPAC Nameformic acid;N-[(1S,2S,4S)-2-hydroxy-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
SMILESCc1noc(CN(C)C(=O)[C@H]2C[C@H](NC(=O)c3ccn4ncnc4c3)[C@@H](O)C2)n1.O=CO
InChIInChI=1S/C18H21N7O4.CH2O2/c1-10-21-16(29-23-10)8-24(2)18(28)12-5-13(14(26)6-12)22-17(27)11-3-4-25-15(7-11)19-9-20-25;2-1-3/h3-4,7,9,12-14,26H,5-6,8H2,1-2H3,(H,22,27);1H,(H,2,3)/t12-,13-,14-;/m0./s1
InChIKeyYKFMKEIXBULNCG-JKBZPBJLSA-N
XLogP-0.35
TPSA176.05 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;N-[(1S,2S,4S)-2-hydroxy-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of formic acid;N-[(1S,2S,4S)-2-hydroxy-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of formic acid;N-[(1S,2S,4S)-2-hydroxy-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide (CID 163341444) is formic acid;N-[(1S,2S,4S)-2-hydroxy-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for formic acid;N-[(1S,2S,4S)-2-hydroxy-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for formic acid;N-[(1S,2S,4S)-2-hydroxy-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide is Cc1noc(CN(C)C(=O)[C@H]2C[C@H](NC(=O)c3ccn4ncnc4c3)[C@@H](O)C2)n1.O=CO.
What is the InChIKey of formic acid;N-[(1S,2S,4S)-2-hydroxy-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The InChIKey is YKFMKEIXBULNCG-JKBZPBJLSA-N. The full InChI is InChI=1S/C18H21N7O4.CH2O2/c1-10-21-16(29-23-10)8-24(2)18(28)12-5-13(14(26)6-12)22-17(27)11-3-4-25-15(7-11)19-9-20-25;2-1-3/h3-4,7,9,12-14,26H,5-6,8H2,1-2H3,(H,22,27);1H,(H,2,3)/t12-,13-,14-;/m0./s1.
What are the key properties of formic acid;N-[(1S,2S,4S)-2-hydroxy-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
formic acid;N-[(1S,2S,4S)-2-hydroxy-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide has a molecular weight of 445.44 g/mol, XLogP of -0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[(1S,2S,4S)-2-hydroxy-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 163341444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).