N-(3-amino-4-pyridinyl)-4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]benzamide

C21H20FN5O2 — CID 44594972

IUPACN-(3-amino-4-pyridinyl)-4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]benzamide
SMILESNc1cnccc1NC(=O)c1ccc(CNC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C21H20FN5O2/c22-17-7-3-15(4-8-17)12-26-21(29)25-11-14-1-5-16(6-2-14)20(28)27-19-9-10-24-13-18(19)23/h1-10,13H,11-12,23H2,(H,24,27,28)(H2,25,26,29)
InChIKeyUDMHIDOMHVSORE-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.05
Rot. Bonds6

About N-(3-amino-4-pyridinyl)-4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]benzamide

N-(3-amino-4-pyridinyl)-4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]benzamide (PubChem CID 44594972) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)-4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]benzamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)-4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]benzamide
PubChem CID44594972
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC NameN-(3-amino-4-pyridinyl)-4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]benzamide
SMILESNc1cnccc1NC(=O)c1ccc(CNC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C21H20FN5O2/c22-17-7-3-15(4-8-17)12-26-21(29)25-11-14-1-5-16(6-2-14)20(28)27-19-9-10-24-13-18(19)23/h1-10,13H,11-12,23H2,(H,24,27,28)(H2,25,26,29)
InChIKeyUDMHIDOMHVSORE-UHFFFAOYSA-N
XLogP3.05
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-pyridinyl)-4-[[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]methyl]benzamide
CID 44594108
N-(3-amino-4-pyridinyl)-4-[[(4-nitrophenyl)methylcarbamoylamino]methyl]benzamide
CID 44594969
N-(3-amino-4-pyridinyl)-4-ethylbenzamide
CID 63062261
N-(3-amino-4-pyridinyl)-2-(4-fluorophenyl)acetamide
CID 55148535
N-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide
CID 123309364
N-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide
CID 71476191
N-(3-amino-4-pyridinyl)-3,4-difluorobenzamide
CID 63061741
N-(2-amino-4-fluorophenyl)-4-[(2-pyridin-3-ylprop-2-enoylamino)methyl]benzamide
CID 69060444
N-(3-amino-4-pyridinyl)-4-tert-butylbenzamide
CID 63063621
N-(2-amino-5-fluorophenyl)-4-[(1-pyridin-3-ylethylcarbamoylamino)methyl]benzamide
CID 59932620
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
CID 71918325
4-(bromomethyl)-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594820

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)-4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]benzamide?
The IUPAC name of N-(3-amino-4-pyridinyl)-4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]benzamide (CID 44594972) is N-(3-amino-4-pyridinyl)-4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]benzamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)-4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]benzamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)-4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]benzamide is Nc1cnccc1NC(=O)c1ccc(CNC(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of N-(3-amino-4-pyridinyl)-4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]benzamide?
The InChIKey is UDMHIDOMHVSORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c22-17-7-3-15(4-8-17)12-26-21(29)25-11-14-1-5-16(6-2-14)20(28)27-19-9-10-24-13-18(19)23/h1-10,13H,11-12,23H2,(H,24,27,28)(H2,25,26,29).
What are the key properties of N-(3-amino-4-pyridinyl)-4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]benzamide?
N-(3-amino-4-pyridinyl)-4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]benzamide has a molecular weight of 393.42 g/mol, XLogP of 3.05, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-pyridinyl)-4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]benzamide is sourced from PubChem (CID 44594972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).