N-[4-[1-[[4-(aminomethyl)phenyl]methylamino]-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide

C23H23BrN4O2 — CID 23770287

IUPACN-[4-[1-[[4-(aminomethyl)phenyl]methylamino]-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide
SMILESCC(C(=O)NCc1ccc(CN)cc1)c1ccc(NC(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C23H23BrN4O2/c1-15(22(29)27-12-17-4-2-16(11-25)3-5-17)18-6-8-21(9-7-18)28-23(30)19-10-20(24)14-26-13-19/h2-10,13-15H,11-12,25H2,1H3,(H,27,29)(H,28,30)
InChIKeyKEVZYOQBVOZKIA-UHFFFAOYSA-N
MW467.37 g/mol
LogP3.97
Rot. Bonds7

About N-[4-[1-[[4-(aminomethyl)phenyl]methylamino]-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide

N-[4-[1-[[4-(aminomethyl)phenyl]methylamino]-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide (PubChem CID 23770287) has the molecular formula C23H23BrN4O2 and a molecular weight of 467.37 g/mol. Its IUPAC name is N-[4-[1-[[4-(aminomethyl)phenyl]methylamino]-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-[[4-(aminomethyl)phenyl]methylamino]-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide
PubChem CID23770287
Molecular FormulaC23H23BrN4O2
Molecular Weight467.37 g/mol
Exact Mass466.10
IUPAC NameN-[4-[1-[[4-(aminomethyl)phenyl]methylamino]-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide
SMILESCC(C(=O)NCc1ccc(CN)cc1)c1ccc(NC(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C23H23BrN4O2/c1-15(22(29)27-12-17-4-2-16(11-25)3-5-17)18-6-8-21(9-7-18)28-23(30)19-10-20(24)14-26-13-19/h2-10,13-15H,11-12,25H2,1H3,(H,27,29)(H,28,30)
InChIKeyKEVZYOQBVOZKIA-UHFFFAOYSA-N
XLogP3.97
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.37
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(2-aminoethylamino)-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide
CID 23828305
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CID 60628517
N-[3-(aminomethyl)phenyl]-5-bromopyridine-3-carboxamide
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5-bromo-N-[4-(bromomethyl)phenyl]pyridine-3-carboxamide
CID 113274680
5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
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3-N-benzyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105029
2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-(5-hydroxypentan-2-yl)carbamate
CID 67868685
5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 835761
5-bromo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridine-3-carboxamide
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4-(aminomethyl)-N-(4-butan-2-ylphenyl)benzamide
CID 43702118
N-[[4-(aminomethyl)phenyl]methyl]-5-hydroxypyridine-3-carboxamide
CID 81090318
5-N-(4-propan-2-ylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106035

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[[4-(aminomethyl)phenyl]methylamino]-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide?
The IUPAC name of N-[4-[1-[[4-(aminomethyl)phenyl]methylamino]-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide (CID 23770287) is N-[4-[1-[[4-(aminomethyl)phenyl]methylamino]-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide.
What is the SMILES notation for N-[4-[1-[[4-(aminomethyl)phenyl]methylamino]-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide?
The canonical SMILES for N-[4-[1-[[4-(aminomethyl)phenyl]methylamino]-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide is CC(C(=O)NCc1ccc(CN)cc1)c1ccc(NC(=O)c2cncc(Br)c2)cc1.
What is the InChIKey of N-[4-[1-[[4-(aminomethyl)phenyl]methylamino]-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide?
The InChIKey is KEVZYOQBVOZKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN4O2/c1-15(22(29)27-12-17-4-2-16(11-25)3-5-17)18-6-8-21(9-7-18)28-23(30)19-10-20(24)14-26-13-19/h2-10,13-15H,11-12,25H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[4-[1-[[4-(aminomethyl)phenyl]methylamino]-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide?
N-[4-[1-[[4-(aminomethyl)phenyl]methylamino]-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide has a molecular weight of 467.37 g/mol, XLogP of 3.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[[4-(aminomethyl)phenyl]methylamino]-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide is sourced from PubChem (CID 23770287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).