2,4-difluoro-N-[2-oxo-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]ethyl]benzamide

C19H20F2N4O2 — CID 36758403

IUPAC2,4-difluoro-N-[2-oxo-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1F)NCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C19H20F2N4O2/c20-14-3-4-15(16(21)10-14)19(27)24-12-18(26)23-11-13-5-6-22-17(9-13)25-7-1-2-8-25/h3-6,9-10H,1-2,7-8,11-12H2,(H,23,26)(H,24,27)
InChIKeyMNZNLRJTJJHQLH-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.01
Rot. Bonds6

About 2,4-difluoro-N-[2-oxo-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]ethyl]benzamide

2,4-difluoro-N-[2-oxo-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]ethyl]benzamide (PubChem CID 36758403) has the molecular formula C19H20F2N4O2 and a molecular weight of 374.39 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-oxo-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]ethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-oxo-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]ethyl]benzamide
PubChem CID36758403
Molecular FormulaC19H20F2N4O2
Molecular Weight374.39 g/mol
Exact Mass374.16
IUPAC Name2,4-difluoro-N-[2-oxo-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1F)NCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C19H20F2N4O2/c20-14-3-4-15(16(21)10-14)19(27)24-12-18(26)23-11-13-5-6-22-17(9-13)25-7-1-2-8-25/h3-6,9-10H,1-2,7-8,11-12H2,(H,23,26)(H,24,27)
InChIKeyMNZNLRJTJJHQLH-UHFFFAOYSA-N
XLogP2.01
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide
CID 30832263
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CID 55791258
N-[2-[[2-(azepan-1-yl)-4-pyridinyl]methylamino]-2-oxoethyl]-4-phenylbenzamide
CID 86899036
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
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2-(benzylcarbamoylamino)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 37313326
2-(2-methoxyethylamino)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide;dihydrochloride
CID 119841580
4-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119841403
2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 119946403
2,4-difluoro-N-[2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 24595815
4-(2,5-difluorophenyl)-N'-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide
CID 109451577
2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 52557964
2-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119946399

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-oxo-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]ethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-oxo-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]ethyl]benzamide (CID 36758403) is 2,4-difluoro-N-[2-oxo-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]ethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-oxo-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]ethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-oxo-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]ethyl]benzamide is O=C(CNC(=O)c1ccc(F)cc1F)NCc1ccnc(N2CCCC2)c1.
What is the InChIKey of 2,4-difluoro-N-[2-oxo-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]ethyl]benzamide?
The InChIKey is MNZNLRJTJJHQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O2/c20-14-3-4-15(16(21)10-14)19(27)24-12-18(26)23-11-13-5-6-22-17(9-13)25-7-1-2-8-25/h3-6,9-10H,1-2,7-8,11-12H2,(H,23,26)(H,24,27).
What are the key properties of 2,4-difluoro-N-[2-oxo-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]ethyl]benzamide?
2,4-difluoro-N-[2-oxo-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]ethyl]benzamide has a molecular weight of 374.39 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-oxo-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]ethyl]benzamide is sourced from PubChem (CID 36758403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).