N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carboxamide

C19H25N5O3 — CID 91771832

IUPACN-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carboxamide
SMILESCc1ccc(O[C@H]2COCC[C@H]2NC(=O)c2nnc3n2CCCCC3)cn1
InChIInChI=1S/C19H25N5O3/c1-13-6-7-14(11-20-13)27-16-12-26-10-8-15(16)21-19(25)18-23-22-17-5-3-2-4-9-24(17)18/h6-7,11,15-16H,2-5,8-10,12H2,1H3,(H,21,25)/t15-,16+/m1/s1
InChIKeyXSFNDAIMYGNOJG-CVEARBPZSA-N
MW371.44 g/mol
LogP1.67
Rot. Bonds4

About N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carboxamide

N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carboxamide (PubChem CID 91771832) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carboxamide
PubChem CID91771832
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC NameN-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carboxamide
SMILESCc1ccc(O[C@H]2COCC[C@H]2NC(=O)c2nnc3n2CCCCC3)cn1
InChIInChI=1S/C19H25N5O3/c1-13-6-7-14(11-20-13)27-16-12-26-10-8-15(16)21-19(25)18-23-22-17-5-3-2-4-9-24(17)18/h6-7,11,15-16H,2-5,8-10,12H2,1H3,(H,21,25)/t15-,16+/m1/s1
InChIKeyXSFNDAIMYGNOJG-CVEARBPZSA-N
XLogP1.67
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carboxamide with MolForge

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Related Compounds

2-methyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]propanamide
CID 91787096
2,5-dimethyl-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]furan-3-carboxamide
CID 133268048
N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-3-(oxazinan-2-yl)propanamide
CID 133267645
3-amino-4-chloro-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-1H-pyrazole-5-carboxamide
CID 91780973
2-ethoxy-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]pyridine-3-carboxamide
CID 133267607
5-ethyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]thiophene-3-carboxamide
CID 91780113
N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 91763480
N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(triazol-1-yl)acetamide
CID 133267072
N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 91762296
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]acetamide
CID 91777974
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]acetamide
CID 133260661
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methylpyrimidine-5-carboxamide
CID 91770875

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carboxamide?
The IUPAC name of N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carboxamide (CID 91771832) is N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carboxamide.
What is the SMILES notation for N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carboxamide?
The canonical SMILES for N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carboxamide is Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)c2nnc3n2CCCCC3)cn1.
What is the InChIKey of N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carboxamide?
The InChIKey is XSFNDAIMYGNOJG-CVEARBPZSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-13-6-7-14(11-20-13)27-16-12-26-10-8-15(16)21-19(25)18-23-22-17-5-3-2-4-9-24(17)18/h6-7,11,15-16H,2-5,8-10,12H2,1H3,(H,21,25)/t15-,16+/m1/s1.
What are the key properties of N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carboxamide?
N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carboxamide is sourced from PubChem (CID 91771832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).