N-(5-chloro-2-pyridinyl)-3-[[2-oxo-2-(quinolin-3-ylamino)ethyl]carbamoylamino]benzamide

C24H19ClN6O3 — CID 166338326

IUPACN-(5-chloro-2-pyridinyl)-3-[[2-oxo-2-(quinolin-3-ylamino)ethyl]carbamoylamino]benzamide
SMILESO=C(CNC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1)Nc1cnc2ccccc2c1
InChIInChI=1S/C24H19ClN6O3/c25-17-8-9-21(27-12-17)31-23(33)16-5-3-6-18(11-16)30-24(34)28-14-22(32)29-19-10-15-4-1-2-7-20(15)26-13-19/h1-13H,14H2,(H,29,32)(H,27,31,33)(H2,28,30,34)
InChIKeyCXVFLONBGQUXNH-UHFFFAOYSA-N
MW474.91 g/mol
LogP4.30
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-3-[[2-oxo-2-(quinolin-3-ylamino)ethyl]carbamoylamino]benzamide

N-(5-chloro-2-pyridinyl)-3-[[2-oxo-2-(quinolin-3-ylamino)ethyl]carbamoylamino]benzamide (PubChem CID 166338326) has the molecular formula C24H19ClN6O3 and a molecular weight of 474.91 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-[[2-oxo-2-(quinolin-3-ylamino)ethyl]carbamoylamino]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-[[2-oxo-2-(quinolin-3-ylamino)ethyl]carbamoylamino]benzamide
PubChem CID166338326
Molecular FormulaC24H19ClN6O3
Molecular Weight474.91 g/mol
Exact Mass474.12
IUPAC NameN-(5-chloro-2-pyridinyl)-3-[[2-oxo-2-(quinolin-3-ylamino)ethyl]carbamoylamino]benzamide
SMILESO=C(CNC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1)Nc1cnc2ccccc2c1
InChIInChI=1S/C24H19ClN6O3/c25-17-8-9-21(27-12-17)31-23(33)16-5-3-6-18(11-16)30-24(34)28-14-22(32)29-19-10-15-4-1-2-7-20(15)26-13-19/h1-13H,14H2,(H,29,32)(H,27,31,33)(H2,28,30,34)
InChIKeyCXVFLONBGQUXNH-UHFFFAOYSA-N
XLogP4.30
TPSA125.11 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.91
LogP ≤ 54.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzamido-N-(5-chloro-2-pyridinyl)benzamide
CID 3929829
3-chloro-N-quinolin-3-ylbenzamide
CID 3284385
3-acetamido-N-(5-chloro-2-pyridinyl)benzamide
CID 13177093
N-(5-chloro-2-pyridinyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylcarbamoylamino]benzamide
CID 166200385
4-(4-chlorophenyl)-4-oxo-N-quinolin-3-ylbutanamide
CID 32837503
N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 19299278
N-(4-chlorophenyl)-2-[(S)-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinyl]acetamide
CID 51508267
N-(5-chloro-2-pyridinyl)-3-[[2-(dimethylamino)-1-(4-methylphenyl)ethyl]carbamoylamino]benzamide
CID 166355447
N-[3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1H-pyrazole-5-carboxamide
CID 75370264
1-(naphthalen-1-ylmethyl)-3-quinolin-3-ylurea
CID 175700641
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-quinolin-3-ylacetamide
CID 78839406
3-chloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 18913238

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-[[2-oxo-2-(quinolin-3-ylamino)ethyl]carbamoylamino]benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-[[2-oxo-2-(quinolin-3-ylamino)ethyl]carbamoylamino]benzamide (CID 166338326) is N-(5-chloro-2-pyridinyl)-3-[[2-oxo-2-(quinolin-3-ylamino)ethyl]carbamoylamino]benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-[[2-oxo-2-(quinolin-3-ylamino)ethyl]carbamoylamino]benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-[[2-oxo-2-(quinolin-3-ylamino)ethyl]carbamoylamino]benzamide is O=C(CNC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1)Nc1cnc2ccccc2c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-[[2-oxo-2-(quinolin-3-ylamino)ethyl]carbamoylamino]benzamide?
The InChIKey is CXVFLONBGQUXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6O3/c25-17-8-9-21(27-12-17)31-23(33)16-5-3-6-18(11-16)30-24(34)28-14-22(32)29-19-10-15-4-1-2-7-20(15)26-13-19/h1-13H,14H2,(H,29,32)(H,27,31,33)(H2,28,30,34).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-[[2-oxo-2-(quinolin-3-ylamino)ethyl]carbamoylamino]benzamide?
N-(5-chloro-2-pyridinyl)-3-[[2-oxo-2-(quinolin-3-ylamino)ethyl]carbamoylamino]benzamide has a molecular weight of 474.91 g/mol, XLogP of 4.30, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-[[2-oxo-2-(quinolin-3-ylamino)ethyl]carbamoylamino]benzamide is sourced from PubChem (CID 166338326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).