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

C17H19BrN4O2 — CID 23828305

IUPACN-[4-[1-(2-aminoethylamino)-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide
SMILESCC(C(=O)NCCN)c1ccc(NC(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C17H19BrN4O2/c1-11(16(23)21-7-6-19)12-2-4-15(5-3-12)22-17(24)13-8-14(18)10-20-9-13/h2-5,8-11H,6-7,19H2,1H3,(H,21,23)(H,22,24)
InChIKeyBJHITYTUICYFLB-UHFFFAOYSA-N
MW391.27 g/mol
LogP2.27
Rot. Bonds6

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

N-[4-[1-(2-aminoethylamino)-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide (PubChem CID 23828305) has the molecular formula C17H19BrN4O2 and a molecular weight of 391.27 g/mol. Its IUPAC name is N-[4-[1-(2-aminoethylamino)-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(2-aminoethylamino)-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide
PubChem CID23828305
Molecular FormulaC17H19BrN4O2
Molecular Weight391.27 g/mol
Exact Mass390.07
IUPAC NameN-[4-[1-(2-aminoethylamino)-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide
SMILESCC(C(=O)NCCN)c1ccc(NC(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C17H19BrN4O2/c1-11(16(23)21-7-6-19)12-2-4-15(5-3-12)22-17(24)13-8-14(18)10-20-9-13/h2-5,8-11H,6-7,19H2,1H3,(H,21,23)(H,22,24)
InChIKeyBJHITYTUICYFLB-UHFFFAOYSA-N
XLogP2.27
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-[[4-(aminomethyl)phenyl]methylamino]-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide
CID 23770287
5-bromo-N-(4-butan-2-ylphenyl)pyridine-3-carboxamide
CID 60628517
5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 33152161
5-bromo-N-[4-(bromomethyl)phenyl]pyridine-3-carboxamide
CID 113274680
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
CID 43064394
5-N-(4-bromophenyl)-3-N-butylpyridine-3,5-dicarboxamide
CID 109102031
5-bromo-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyridine-3-carboxamide
CID 46475612
3-N-[2-(dimethylamino)ethyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109104104
5-bromo-N-[4-(ethylsulfamoyl)phenyl]pyridine-3-carboxamide
CID 993374
3-N-(3-methylbutyl)-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107140
N-[3-(aminomethyl)phenyl]-5-bromopyridine-3-carboxamide
CID 55168003

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-aminoethylamino)-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide?
The IUPAC name of N-[4-[1-(2-aminoethylamino)-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide (CID 23828305) is N-[4-[1-(2-aminoethylamino)-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide.
What is the SMILES notation for N-[4-[1-(2-aminoethylamino)-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide?
The canonical SMILES for N-[4-[1-(2-aminoethylamino)-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide is CC(C(=O)NCCN)c1ccc(NC(=O)c2cncc(Br)c2)cc1.
What is the InChIKey of N-[4-[1-(2-aminoethylamino)-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide?
The InChIKey is BJHITYTUICYFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O2/c1-11(16(23)21-7-6-19)12-2-4-15(5-3-12)22-17(24)13-8-14(18)10-20-9-13/h2-5,8-11H,6-7,19H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-[1-(2-aminoethylamino)-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide?
N-[4-[1-(2-aminoethylamino)-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide has a molecular weight of 391.27 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-aminoethylamino)-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide is sourced from PubChem (CID 23828305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).