3-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide

C19H17N5O+2 — CID 58023981

IUPAC3-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
SMILESO=C(Nc1cccnc1)c1[nH]c(Cc2ccc[nH+]c2)[n+]2ccccc12
InChIInChI=1S/C19H15N5O/c25-19(22-15-6-4-9-21-13-15)18-16-7-1-2-10-24(16)17(23-18)11-14-5-3-8-20-12-14/h1-10,12-13H,11H2,(H,22,25)/p+2
InChIKeyLDBOSIDQTDUGGR-UHFFFAOYSA-P
MW331.38 g/mol
LogP1.81
Rot. Bonds4

About 3-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide

3-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide (PubChem CID 58023981) has the molecular formula C19H17N5O+2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide.

Molecular Properties

Compound Name3-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
PubChem CID58023981
Molecular FormulaC19H17N5O+2
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name3-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
SMILESO=C(Nc1cccnc1)c1[nH]c(Cc2ccc[nH+]c2)[n+]2ccccc12
InChIInChI=1S/C19H15N5O/c25-19(22-15-6-4-9-21-13-15)18-16-7-1-2-10-24(16)17(23-18)11-14-5-3-8-20-12-14/h1-10,12-13H,11H2,(H,22,25)/p+2
InChIKeyLDBOSIDQTDUGGR-UHFFFAOYSA-P
XLogP1.81
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-pyridin-3-yl-3-(pyridin-3-ylmethyl)-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
CID 58023982
N-pyridin-4-yl-3-(pyridin-3-ylmethyl)-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
CID 58023273
N-[4-(1H-imidazol-5-yl)phenyl]-3-(pyridin-1-ium-3-ylmethyl)-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
CID 58023300
3-(pyridin-3-ylmethyl)-N-quinolin-6-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
CID 58023863
3-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide
CID 123559067
4-(aminomethyl)-N-pyridin-3-ylbenzamide
CID 16774572
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
1-N-(pyridin-1-ium-3-ylmethyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 3619062
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
2-benzyl-N-pyridin-3-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 154885366
3-benzyl-4-oxo-N-pyridin-3-ylphthalazine-1-carboxamide
CID 26592291

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide?
The IUPAC name of 3-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide (CID 58023981) is 3-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide.
What is the SMILES notation for 3-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide?
The canonical SMILES for 3-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide is O=C(Nc1cccnc1)c1[nH]c(Cc2ccc[nH+]c2)[n+]2ccccc12.
What is the InChIKey of 3-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide?
The InChIKey is LDBOSIDQTDUGGR-UHFFFAOYSA-P. The full InChI is InChI=1S/C19H15N5O/c25-19(22-15-6-4-9-21-13-15)18-16-7-1-2-10-24(16)17(23-18)11-14-5-3-8-20-12-14/h1-10,12-13H,11H2,(H,22,25)/p+2.
What are the key properties of 3-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide?
3-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide is sourced from PubChem (CID 58023981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).