3-[[4-(quinolin-5-ylamino)pyrimidin-2-yl]amino]benzamide

C20H16N6O — CID 25138041

IUPAC3-[[4-(quinolin-5-ylamino)pyrimidin-2-yl]amino]benzamide
SMILESNC(=O)c1cccc(Nc2nccc(Nc3cccc4ncccc34)n2)c1
InChIInChI=1S/C20H16N6O/c21-19(27)13-4-1-5-14(12-13)24-20-23-11-9-18(26-20)25-17-8-2-7-16-15(17)6-3-10-22-16/h1-12H,(H2,21,27)(H2,23,24,25,26)
InChIKeyMODRKXWTPQZUGE-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.61
Rot. Bonds5

About 3-[[4-(quinolin-5-ylamino)pyrimidin-2-yl]amino]benzamide

3-[[4-(quinolin-5-ylamino)pyrimidin-2-yl]amino]benzamide (PubChem CID 25138041) has the molecular formula C20H16N6O and a molecular weight of 356.39 g/mol. Its IUPAC name is 3-[[4-(quinolin-5-ylamino)pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound Name3-[[4-(quinolin-5-ylamino)pyrimidin-2-yl]amino]benzamide
PubChem CID25138041
Molecular FormulaC20H16N6O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC Name3-[[4-(quinolin-5-ylamino)pyrimidin-2-yl]amino]benzamide
SMILESNC(=O)c1cccc(Nc2nccc(Nc3cccc4ncccc34)n2)c1
InChIInChI=1S/C20H16N6O/c21-19(27)13-4-1-5-14(12-13)24-20-23-11-9-18(26-20)25-17-8-2-7-16-15(17)6-3-10-22-16/h1-12H,(H2,21,27)(H2,23,24,25,26)
InChIKeyMODRKXWTPQZUGE-UHFFFAOYSA-N
XLogP3.61
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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1-(4-(Benzylamino)-5,6,7,8-Tetrahydropyrido[2,3-D]Pyrimidin-2-Yl)-2-Methyl-1H-Indole-4-Carboxamide
CID 122685543
4-((4-Methyl-1-piperazinyl)methyl)-N-(3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)-benzamide
CID 4369496
N-(4-methyl-3-(1-methyl-7-(6-methylpyridin-3-ylamino)-2-oxo-1,2-dihydropyrimido(4,5-d)pyrimidin-3(4H)-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 11478363
Jnk-IN-8
CID 57340686
6-((Z)-Amino(Imino)Methyl)-N-(4-(Aminomethyl)Phenyl)-4-(Pyrimidin-2-Ylamino)-2-Naphthamide
CID 448605
N-(4-Phenylamino-quinazolin-6-YL)-acrylamide
CID 10401956
3-(2-aminoquinazolin-6-yl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
CID 15991573
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(quinolin-5-ylamino)pyrimidin-2-yl]amino]benzamide?
The IUPAC name of 3-[[4-(quinolin-5-ylamino)pyrimidin-2-yl]amino]benzamide (CID 25138041) is 3-[[4-(quinolin-5-ylamino)pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for 3-[[4-(quinolin-5-ylamino)pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for 3-[[4-(quinolin-5-ylamino)pyrimidin-2-yl]amino]benzamide is NC(=O)c1cccc(Nc2nccc(Nc3cccc4ncccc34)n2)c1.
What is the InChIKey of 3-[[4-(quinolin-5-ylamino)pyrimidin-2-yl]amino]benzamide?
The InChIKey is MODRKXWTPQZUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O/c21-19(27)13-4-1-5-14(12-13)24-20-23-11-9-18(26-20)25-17-8-2-7-16-15(17)6-3-10-22-16/h1-12H,(H2,21,27)(H2,23,24,25,26).
What are the key properties of 3-[[4-(quinolin-5-ylamino)pyrimidin-2-yl]amino]benzamide?
3-[[4-(quinolin-5-ylamino)pyrimidin-2-yl]amino]benzamide has a molecular weight of 356.39 g/mol, XLogP of 3.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(quinolin-5-ylamino)pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 25138041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).