3-(pyridin-3-ylmethyl)-N-quinolin-6-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide

C23H18N5O+ — CID 58023863

IUPAC3-(pyridin-3-ylmethyl)-N-quinolin-6-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
SMILESO=C(Nc1ccc2ncccc2c1)c1[nH]c(Cc2cccnc2)[n+]2ccccc12
InChIInChI=1S/C23H17N5O/c29-23(26-18-8-9-19-17(14-18)6-4-11-25-19)22-20-7-1-2-12-28(20)21(27-22)13-16-5-3-10-24-15-16/h1-12,14-15H,13H2,(H,26,29)/p+1
InChIKeyOOOPUDWABFIYME-UHFFFAOYSA-O
MW380.43 g/mol
LogP3.54
Rot. Bonds4

About 3-(pyridin-3-ylmethyl)-N-quinolin-6-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide

3-(pyridin-3-ylmethyl)-N-quinolin-6-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide (PubChem CID 58023863) has the molecular formula C23H18N5O+ and a molecular weight of 380.43 g/mol. Its IUPAC name is 3-(pyridin-3-ylmethyl)-N-quinolin-6-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide.

Molecular Properties

Compound Name3-(pyridin-3-ylmethyl)-N-quinolin-6-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
PubChem CID58023863
Molecular FormulaC23H18N5O+
Molecular Weight380.43 g/mol
Exact Mass380.15
IUPAC Name3-(pyridin-3-ylmethyl)-N-quinolin-6-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
SMILESO=C(Nc1ccc2ncccc2c1)c1[nH]c(Cc2cccnc2)[n+]2ccccc12
InChIInChI=1S/C23H17N5O/c29-23(26-18-8-9-19-17(14-18)6-4-11-25-19)22-20-7-1-2-12-28(20)21(27-22)13-16-5-3-10-24-15-16/h1-12,14-15H,13H2,(H,26,29)/p+1
InChIKeyOOOPUDWABFIYME-UHFFFAOYSA-O
XLogP3.54
TPSA74.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-pyridin-4-yl-3-(pyridin-3-ylmethyl)-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
CID 58023273
N-pyridin-3-yl-3-(pyridin-3-ylmethyl)-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
CID 58023982
3-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
CID 58023981
N-quinolin-6-ylbenzamide
CID 833617
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
N-(pyridin-3-ylmethyl)quinolin-6-amine
CID 53392291
3-chloro-N-quinolin-6-ylpyridine-4-carboxamide
CID 66484536
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
2-(pyridin-4-ylmethylsulfanyl)-N-quinolin-6-ylbenzamide
CID 23093954
5-chloro-N-quinolin-6-ylpyrazine-2-carboxamide
CID 103803742
N-quinolin-6-yl-2H-benzotriazole-5-carboxamide
CID 60555981
4-amino-N-quinolin-6-yl-1H-pyrrole-2-carboxamide
CID 62634029

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-ylmethyl)-N-quinolin-6-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide?
The IUPAC name of 3-(pyridin-3-ylmethyl)-N-quinolin-6-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide (CID 58023863) is 3-(pyridin-3-ylmethyl)-N-quinolin-6-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide.
What is the SMILES notation for 3-(pyridin-3-ylmethyl)-N-quinolin-6-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide?
The canonical SMILES for 3-(pyridin-3-ylmethyl)-N-quinolin-6-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide is O=C(Nc1ccc2ncccc2c1)c1[nH]c(Cc2cccnc2)[n+]2ccccc12.
What is the InChIKey of 3-(pyridin-3-ylmethyl)-N-quinolin-6-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide?
The InChIKey is OOOPUDWABFIYME-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H17N5O/c29-23(26-18-8-9-19-17(14-18)6-4-11-25-19)22-20-7-1-2-12-28(20)21(27-22)13-16-5-3-10-24-15-16/h1-12,14-15H,13H2,(H,26,29)/p+1.
What are the key properties of 3-(pyridin-3-ylmethyl)-N-quinolin-6-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide?
3-(pyridin-3-ylmethyl)-N-quinolin-6-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-3-ylmethyl)-N-quinolin-6-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide is sourced from PubChem (CID 58023863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).