N-pyridin-3-yl-2,3-bis(1H-pyrrol-2-yl)quinoxaline-6-carboxamide

C22H16N6O — CID 4253586

IUPACN-pyridin-3-yl-2,3-bis(1H-pyrrol-2-yl)quinoxaline-6-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1
InChIInChI=1S/C22H16N6O/c29-22(26-15-4-1-9-23-13-15)14-7-8-16-19(12-14)28-21(18-6-3-11-25-18)20(27-16)17-5-2-10-24-17/h1-13,24-25H,(H,26,29)
InChIKeyTZQJDHCPPGPAPL-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.27
Rot. Bonds4

About N-pyridin-3-yl-2,3-bis(1H-pyrrol-2-yl)quinoxaline-6-carboxamide

N-pyridin-3-yl-2,3-bis(1H-pyrrol-2-yl)quinoxaline-6-carboxamide (PubChem CID 4253586) has the molecular formula C22H16N6O and a molecular weight of 380.41 g/mol. Its IUPAC name is N-pyridin-3-yl-2,3-bis(1H-pyrrol-2-yl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-yl-2,3-bis(1H-pyrrol-2-yl)quinoxaline-6-carboxamide
PubChem CID4253586
Molecular FormulaC22H16N6O
Molecular Weight380.41 g/mol
Exact Mass380.14
IUPAC NameN-pyridin-3-yl-2,3-bis(1H-pyrrol-2-yl)quinoxaline-6-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1
InChIInChI=1S/C22H16N6O/c29-22(26-15-4-1-9-23-13-15)14-7-8-16-19(12-14)28-21(18-6-3-11-25-18)20(27-16)17-5-2-10-24-17/h1-13,24-25H,(H,26,29)
InChIKeyTZQJDHCPPGPAPL-UHFFFAOYSA-N
XLogP4.27
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Quinoxalin-6-ylcarbonyl)piperidine
CID 148184
7-Pyridin-3-yl-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5(10),6,8,11,16,18,20,22(26)-nonaene-13,15-dione
CID 5330677
7-Pyridin-4-yl-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5(10),6,8,11,16,18,20,22(26)-nonaene-13,15-dione
CID 5330678
N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
CID 20925641
3-(4-Aminophenyl)quinoxaline-5-carboxamide
CID 25218519
1,10-Dihydropyrrolo[2,3-a]carbazole-3-carboxamide
CID 44479711
Pyrido[4,3-a]phenazine-11-carboxamide, N-[2-(dimethylamino)ethyl]-
CID 10154612
Quinoxaline-6-carboxylic acid [2-(2-methyl-1H-indol-3-yl)-ethyl]-amide
CID 23724399
Tacrine-indole hybrid derivative 2
CID 118717425
N-(2-aminophenyl)quinoxaline-6-carboxamide
CID 23648267
N-(2,4-dimethylphenyl)quinoxaline-6-carboxamide
CID 858922
N-(2,5-dimethylphenyl)quinoxaline-6-carboxamide
CID 858924

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-2,3-bis(1H-pyrrol-2-yl)quinoxaline-6-carboxamide?
The IUPAC name of N-pyridin-3-yl-2,3-bis(1H-pyrrol-2-yl)quinoxaline-6-carboxamide (CID 4253586) is N-pyridin-3-yl-2,3-bis(1H-pyrrol-2-yl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-pyridin-3-yl-2,3-bis(1H-pyrrol-2-yl)quinoxaline-6-carboxamide?
The canonical SMILES for N-pyridin-3-yl-2,3-bis(1H-pyrrol-2-yl)quinoxaline-6-carboxamide is O=C(Nc1cccnc1)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1.
What is the InChIKey of N-pyridin-3-yl-2,3-bis(1H-pyrrol-2-yl)quinoxaline-6-carboxamide?
The InChIKey is TZQJDHCPPGPAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O/c29-22(26-15-4-1-9-23-13-15)14-7-8-16-19(12-14)28-21(18-6-3-11-25-18)20(27-16)17-5-2-10-24-17/h1-13,24-25H,(H,26,29).
What are the key properties of N-pyridin-3-yl-2,3-bis(1H-pyrrol-2-yl)quinoxaline-6-carboxamide?
N-pyridin-3-yl-2,3-bis(1H-pyrrol-2-yl)quinoxaline-6-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 4.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-2,3-bis(1H-pyrrol-2-yl)quinoxaline-6-carboxamide is sourced from PubChem (CID 4253586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).