4-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide

C29H29FN6O2 — CID 123497239

IUPAC4-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
SMILESNc1ccc(-c2ccc(C(=O)NCCC(=O)N3CCCC3)c(F)c2)nc1NCc1ccc2ncccc2c1
InChIInChI=1S/C29H29FN6O2/c30-23-17-21(6-7-22(23)29(38)33-13-11-27(37)36-14-1-2-15-36)26-10-8-24(31)28(35-26)34-18-19-5-9-25-20(16-19)4-3-12-32-25/h3-10,12,16-17H,1-2,11,13-15,18,31H2,(H,33,38)(H,34,35)
InChIKeyUMKOQNCOYFWIAE-UHFFFAOYSA-N
MW512.59 g/mol
LogP4.37
Rot. Bonds8

About 4-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide

4-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 123497239) has the molecular formula C29H29FN6O2 and a molecular weight of 512.59 g/mol. Its IUPAC name is 4-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID123497239
Molecular FormulaC29H29FN6O2
Molecular Weight512.59 g/mol
Exact Mass512.23
IUPAC Name4-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
SMILESNc1ccc(-c2ccc(C(=O)NCCC(=O)N3CCCC3)c(F)c2)nc1NCc1ccc2ncccc2c1
InChIInChI=1S/C29H29FN6O2/c30-23-17-21(6-7-22(23)29(38)33-13-11-27(37)36-14-1-2-15-36)26-10-8-24(31)28(35-26)34-18-19-5-9-25-20(16-19)4-3-12-32-25/h3-10,12,16-17H,1-2,11,13-15,18,31H2,(H,33,38)(H,34,35)
InChIKeyUMKOQNCOYFWIAE-UHFFFAOYSA-N
XLogP4.37
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.59
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide with MolForge

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Related Compounds

4-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 139324816
6-(4-ethenyl-3-fluorophenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 155372035
6-[4-[3-(dimethylamino)propoxy]-3-fluorophenyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 139325338
6-[6-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 139321368
6-(4-ethenyl-3-methylphenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 155372052
4-[6-[ethenyl(quinolin-6-ylmethyl)amino]-5-methyl-2-pyridinyl]-2-fluoro-N-propylbenzamide
CID 123396694
2-fluoro-N-propyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide
CID 134566434
2-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide
CID 59420921
2-fluoro-N-(2-methylpropyl)-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]benzamide
CID 123849268
[1-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]piperidin-4-yl]methanol
CID 139321582
2-fluoro-4-[8-(quinolin-6-ylmethyl)-2,7,8-triazabicyclo[4.2.0]octa-1(6),2,4-trien-3-yl]benzamide
CID 123641836
2,4-difluoro-N-[3-oxo-3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propyl]benzamide
CID 55513642

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 4-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide (CID 123497239) is 4-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 4-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide is Nc1ccc(-c2ccc(C(=O)NCCC(=O)N3CCCC3)c(F)c2)nc1NCc1ccc2ncccc2c1.
What is the InChIKey of 4-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is UMKOQNCOYFWIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN6O2/c30-23-17-21(6-7-22(23)29(38)33-13-11-27(37)36-14-1-2-15-36)26-10-8-24(31)28(35-26)34-18-19-5-9-25-20(16-19)4-3-12-32-25/h3-10,12,16-17H,1-2,11,13-15,18,31H2,(H,33,38)(H,34,35).
What are the key properties of 4-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
4-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 512.59 g/mol, XLogP of 4.37, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 123497239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).