N-[2-[(6-imidazol-1-yl-3-pyridinyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide

C20H16N6O3 — CID 55830677

IUPACN-[2-[(6-imidazol-1-yl-3-pyridinyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(CNC(=O)c1c[nH]c2ccccc2c1=O)Nc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C20H16N6O3/c27-18(25-13-5-6-17(23-9-13)26-8-7-21-12-26)11-24-20(29)15-10-22-16-4-2-1-3-14(16)19(15)28/h1-10,12H,11H2,(H,22,28)(H,24,29)(H,25,27)
InChIKeyQYOUGDSCKDJFRJ-UHFFFAOYSA-N
MW388.39 g/mol
LogP1.48
Rot. Bonds5

About N-[2-[(6-imidazol-1-yl-3-pyridinyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide

N-[2-[(6-imidazol-1-yl-3-pyridinyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 55830677) has the molecular formula C20H16N6O3 and a molecular weight of 388.39 g/mol. Its IUPAC name is N-[2-[(6-imidazol-1-yl-3-pyridinyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(6-imidazol-1-yl-3-pyridinyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID55830677
Molecular FormulaC20H16N6O3
Molecular Weight388.39 g/mol
Exact Mass388.13
IUPAC NameN-[2-[(6-imidazol-1-yl-3-pyridinyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(CNC(=O)c1c[nH]c2ccccc2c1=O)Nc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C20H16N6O3/c27-18(25-13-5-6-17(23-9-13)26-8-7-21-12-26)11-24-20(29)15-10-22-16-4-2-1-3-14(16)19(15)28/h1-10,12H,11H2,(H,22,28)(H,24,29)(H,25,27)
InChIKeyQYOUGDSCKDJFRJ-UHFFFAOYSA-N
XLogP1.48
TPSA121.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-[(6-imidazol-1-yl-3-pyridinyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 60508476
N-(6-imidazol-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 35438277
4-oxo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]-1H-quinoline-3-carboxamide
CID 55702331
N-[2-(3-bromoanilino)-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55753979
2-(cyclopropylmethylamino)-N-(6-imidazol-1-yl-3-pyridinyl)acetamide
CID 60867461
N-[2-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55976567
N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 115620011
N-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119630571
4-oxo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]-1H-quinoline-3-carboxamide
CID 55702746
N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55789378
N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-1H-indole-3-carboxamide;hydrochloride
CID 169442420
N-[2-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55949083

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-imidazol-1-yl-3-pyridinyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-[(6-imidazol-1-yl-3-pyridinyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide (CID 55830677) is N-[2-[(6-imidazol-1-yl-3-pyridinyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-[(6-imidazol-1-yl-3-pyridinyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-[(6-imidazol-1-yl-3-pyridinyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide is O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)Nc1ccc(-n2ccnc2)nc1.
What is the InChIKey of N-[2-[(6-imidazol-1-yl-3-pyridinyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is QYOUGDSCKDJFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O3/c27-18(25-13-5-6-17(23-9-13)26-8-7-21-12-26)11-24-20(29)15-10-22-16-4-2-1-3-14(16)19(15)28/h1-10,12H,11H2,(H,22,28)(H,24,29)(H,25,27).
What are the key properties of N-[2-[(6-imidazol-1-yl-3-pyridinyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
N-[2-[(6-imidazol-1-yl-3-pyridinyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 388.39 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-imidazol-1-yl-3-pyridinyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 55830677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).