4-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide

C18H24N6O2 — CID 166602593

IUPAC4-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
SMILESNC(=O)c1cc(OCC2CCN(Cc3nnc4n3CCC4)CC2)ccn1
InChIInChI=1S/C18H24N6O2/c19-18(25)15-10-14(3-6-20-15)26-12-13-4-8-23(9-5-13)11-17-22-21-16-2-1-7-24(16)17/h3,6,10,13H,1-2,4-5,7-9,11-12H2,(H2,19,25)
InChIKeyIBNSEVSCPGLQSB-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.01
Rot. Bonds6

About 4-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide

4-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide (PubChem CID 166602593) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
PubChem CID166602593
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name4-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
SMILESNC(=O)c1cc(OCC2CCN(Cc3nnc4n3CCC4)CC2)ccn1
InChIInChI=1S/C18H24N6O2/c19-18(25)15-10-14(3-6-20-15)26-12-13-4-8-23(9-5-13)11-17-22-21-16-2-1-7-24(16)17/h3,6,10,13H,1-2,4-5,7-9,11-12H2,(H2,19,25)
InChIKeyIBNSEVSCPGLQSB-UHFFFAOYSA-N
XLogP1.01
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide with MolForge

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Related Compounds

4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166603548
4-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166603390
3-[[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 155799862
4-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166602502
4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166601537
4-(cyclohexylmethoxy)pyridine-2-carboxylic acid
CID 62382036
4-[[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166602822
4-[[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166600547
4-[(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)methoxy]pyridine-2-carboxamide
CID 166603591
4-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166603626
1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-yl]ethanone
CID 107077895
4-methoxy-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 136537092

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide?
The IUPAC name of 4-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide (CID 166602593) is 4-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide is NC(=O)c1cc(OCC2CCN(Cc3nnc4n3CCC4)CC2)ccn1.
What is the InChIKey of 4-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide?
The InChIKey is IBNSEVSCPGLQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c19-18(25)15-10-14(3-6-20-15)26-12-13-4-8-23(9-5-13)11-17-22-21-16-2-1-7-24(16)17/h3,6,10,13H,1-2,4-5,7-9,11-12H2,(H2,19,25).
What are the key properties of 4-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide?
4-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide is sourced from PubChem (CID 166602593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).