1-[1'-(6-aminopyridine-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one

C19H24N6O2 — CID 72868450

IUPAC1-[1'-(6-aminopyridine-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
SMILESCCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(N)nc1)CC2
InChIInChI=1S/C19H24N6O2/c1-2-16(26)25-8-5-14-17(23-12-22-14)19(25)6-9-24(10-7-19)18(27)13-3-4-15(20)21-11-13/h3-4,11-12H,2,5-10H2,1H3,(H2,20,21)(H,22,23)
InChIKeyFDIMRNULUDKEOO-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.31
Rot. Bonds2

About 1-[1'-(6-aminopyridine-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one

1-[1'-(6-aminopyridine-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one (PubChem CID 72868450) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[1'-(6-aminopyridine-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[1'-(6-aminopyridine-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
PubChem CID72868450
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name1-[1'-(6-aminopyridine-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
SMILESCCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(N)nc1)CC2
InChIInChI=1S/C19H24N6O2/c1-2-16(26)25-8-5-14-17(23-12-22-14)19(25)6-9-24(10-7-19)18(27)13-3-4-15(20)21-11-13/h3-4,11-12H,2,5-10H2,1H3,(H2,20,21)(H,22,23)
InChIKeyFDIMRNULUDKEOO-UHFFFAOYSA-N
XLogP1.31
TPSA108.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1'-(6-aminopyridine-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?
The IUPAC name of 1-[1'-(6-aminopyridine-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one (CID 72868450) is 1-[1'-(6-aminopyridine-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one.
What is the SMILES notation for 1-[1'-(6-aminopyridine-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?
The canonical SMILES for 1-[1'-(6-aminopyridine-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one is CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(N)nc1)CC2.
What is the InChIKey of 1-[1'-(6-aminopyridine-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?
The InChIKey is FDIMRNULUDKEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-2-16(26)25-8-5-14-17(23-12-22-14)19(25)6-9-24(10-7-19)18(27)13-3-4-15(20)21-11-13/h3-4,11-12H,2,5-10H2,1H3,(H2,20,21)(H,22,23).
What are the key properties of 1-[1'-(6-aminopyridine-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?
1-[1'-(6-aminopyridine-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one has a molecular weight of 368.44 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1'-(6-aminopyridine-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one is sourced from PubChem (CID 72868450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).