formic acid;N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

C19H31N5O5 — CID 171339931

IUPACformic acid;N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCC(C)(CO)NC(=O)C1CCC(NC(=O)C2CCc3ncnn3C2)CC1.O=CO
InChIInChI=1S/C18H29N5O3.CH2O2/c1-18(2,10-24)22-17(26)12-3-6-14(7-4-12)21-16(25)13-5-8-15-19-11-20-23(15)9-13;2-1-3/h11-14,24H,3-10H2,1-2H3,(H,21,25)(H,22,26);1H,(H,2,3)
InChIKeyUNLMZOVKVXIDPP-UHFFFAOYSA-N
MW409.49 g/mol
LogP0.10
Rot. Bonds5

About formic acid;N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

formic acid;N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 171339931) has the molecular formula C19H31N5O5 and a molecular weight of 409.49 g/mol. Its IUPAC name is formic acid;N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound Nameformic acid;N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
PubChem CID171339931
Molecular FormulaC19H31N5O5
Molecular Weight409.49 g/mol
Exact Mass409.23
IUPAC Nameformic acid;N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCC(C)(CO)NC(=O)C1CCC(NC(=O)C2CCc3ncnn3C2)CC1.O=CO
InChIInChI=1S/C18H29N5O3.CH2O2/c1-18(2,10-24)22-17(26)12-3-6-14(7-4-12)21-16(25)13-5-8-15-19-11-20-23(15)9-13;2-1-3/h11-14,24H,3-10H2,1-2H3,(H,21,25)(H,22,26);1H,(H,2,3)
InChIKeyUNLMZOVKVXIDPP-UHFFFAOYSA-N
XLogP0.10
TPSA146.44 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze formic acid;N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide with MolForge

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Related Compounds

N-[2-(methylsulfamoyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 154822643
1-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 124559551
2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 95302743
N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 155503661
N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 154822152
ethyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)oxane-4-carboxylate
CID 155502067
(3S)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96557652
2-(azepan-1-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanamide
CID 127374124
[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;hydrochloride
CID 163334514
N-[2-(4-fluorophenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 155510027
N-(1-amino-2-methylpropan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide
CID 119524077
1-(cyclopropanecarbonyl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide
CID 43500690

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of formic acid;N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (CID 171339931) is formic acid;N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for formic acid;N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for formic acid;N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is CC(C)(CO)NC(=O)C1CCC(NC(=O)C2CCc3ncnn3C2)CC1.O=CO.
What is the InChIKey of formic acid;N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is UNLMZOVKVXIDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3.CH2O2/c1-18(2,10-24)22-17(26)12-3-6-14(7-4-12)21-16(25)13-5-8-15-19-11-20-23(15)9-13;2-1-3/h11-14,24H,3-10H2,1-2H3,(H,21,25)(H,22,26);1H,(H,2,3).
What are the key properties of formic acid;N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
formic acid;N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 0.10, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 171339931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).