formic acid;(1S,3S,4S)-3-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[2-(2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxamide

C20H26N4O7 — CID 155972962

IUPACformic acid;(1S,3S,4S)-3-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[2-(2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxamide
SMILESCc1cc(CNC(=O)[C@H]2CC[C@H](NC(=O)Cn3ccccc3=O)[C@@H](O)C2)no1.O=CO
InChIInChI=1S/C19H24N4O5.CH2O2/c1-12-8-14(22-28-12)10-20-19(27)13-5-6-15(16(24)9-13)21-17(25)11-23-7-3-2-4-18(23)26;2-1-3/h2-4,7-8,13,15-16,24H,5-6,9-11H2,1H3,(H,20,27)(H,21,25);1H,(H,2,3)/t13-,15-,16-;/m0./s1
InChIKeyBSEXDIXVOVQTEM-GEUPQXMHSA-N
MW434.45 g/mol
LogP-0.19
Rot. Bonds6

About formic acid;(1S,3S,4S)-3-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[2-(2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxamide

formic acid;(1S,3S,4S)-3-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[2-(2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxamide (PubChem CID 155972962) has the molecular formula C20H26N4O7 and a molecular weight of 434.45 g/mol. Its IUPAC name is formic acid;(1S,3S,4S)-3-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[2-(2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Nameformic acid;(1S,3S,4S)-3-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[2-(2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxamide
PubChem CID155972962
Molecular FormulaC20H26N4O7
Molecular Weight434.45 g/mol
Exact Mass434.18
IUPAC Nameformic acid;(1S,3S,4S)-3-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[2-(2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxamide
SMILESCc1cc(CNC(=O)[C@H]2CC[C@H](NC(=O)Cn3ccccc3=O)[C@@H](O)C2)no1.O=CO
InChIInChI=1S/C19H24N4O5.CH2O2/c1-12-8-14(22-28-12)10-20-19(27)13-5-6-15(16(24)9-13)21-17(25)11-23-7-3-2-4-18(23)26;2-1-3/h2-4,7-8,13,15-16,24H,5-6,9-11H2,1H3,(H,20,27)(H,21,25);1H,(H,2,3)/t13-,15-,16-;/m0./s1
InChIKeyBSEXDIXVOVQTEM-GEUPQXMHSA-N
XLogP-0.19
TPSA163.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;(1S,3S,4S)-3-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[2-(2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of formic acid;(1S,3S,4S)-3-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[2-(2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxamide (CID 155972962) is formic acid;(1S,3S,4S)-3-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[2-(2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for formic acid;(1S,3S,4S)-3-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[2-(2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for formic acid;(1S,3S,4S)-3-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[2-(2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxamide is Cc1cc(CNC(=O)[C@H]2CC[C@H](NC(=O)Cn3ccccc3=O)[C@@H](O)C2)no1.O=CO.
What is the InChIKey of formic acid;(1S,3S,4S)-3-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[2-(2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxamide?
The InChIKey is BSEXDIXVOVQTEM-GEUPQXMHSA-N. The full InChI is InChI=1S/C19H24N4O5.CH2O2/c1-12-8-14(22-28-12)10-20-19(27)13-5-6-15(16(24)9-13)21-17(25)11-23-7-3-2-4-18(23)26;2-1-3/h2-4,7-8,13,15-16,24H,5-6,9-11H2,1H3,(H,20,27)(H,21,25);1H,(H,2,3)/t13-,15-,16-;/m0./s1.
What are the key properties of formic acid;(1S,3S,4S)-3-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[2-(2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxamide?
formic acid;(1S,3S,4S)-3-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[2-(2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxamide has a molecular weight of 434.45 g/mol, XLogP of -0.19, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;(1S,3S,4S)-3-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[2-(2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 155972962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).