N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-bromothiophene-2-carboxamide

C17H15BrN4OS — CID 70234206

IUPACN-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-bromothiophene-2-carboxamide
SMILESNc1ncccc1NCc1cccc(NC(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C17H15BrN4OS/c18-15-7-6-14(24-15)17(23)22-12-4-1-3-11(9-12)10-21-13-5-2-8-20-16(13)19/h1-9,21H,10H2,(H2,19,20)(H,22,23)
InChIKeyISXDZMSRXIPFOO-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.35
Rot. Bonds5

About N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-bromothiophene-2-carboxamide

N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-bromothiophene-2-carboxamide (PubChem CID 70234206) has the molecular formula C17H15BrN4OS and a molecular weight of 403.31 g/mol. Its IUPAC name is N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-bromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-bromothiophene-2-carboxamide
PubChem CID70234206
Molecular FormulaC17H15BrN4OS
Molecular Weight403.31 g/mol
Exact Mass402.01
IUPAC NameN-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-bromothiophene-2-carboxamide
SMILESNc1ncccc1NCc1cccc(NC(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C17H15BrN4OS/c18-15-7-6-14(24-15)17(23)22-12-4-1-3-11(9-12)10-21-13-5-2-8-20-16(13)19/h1-9,21H,10H2,(H2,19,20)(H,22,23)
InChIKeyISXDZMSRXIPFOO-UHFFFAOYSA-N
XLogP4.35
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(5-bromothiophen-2-yl)ethanone
CID 58448850
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 70234459
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 70233600
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]formamide
CID 143980472
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-(1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 70234437
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-cyano-1-methylpyrazole-3-carboxamide
CID 70233896
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-[4-(methylamino)but-2-ynoxy]pyrazine-2-carboxamide
CID 70233726
5-bromo-N-(2-bromo-3-pyridinyl)thiophene-2-carboxamide
CID 103819443
3-N-[(5-bromothiophen-2-yl)methyl]pyridine-2,3-diamine
CID 104540435
N-[3-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]phenyl]butanamide;N-[3-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]phenyl]propanamide
CID 159199604
5-bromo-N-(2-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 79043907
5-bromo-N-[3-(propanoylamino)phenyl]thiophene-2-carboxamide
CID 46568246

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-bromothiophene-2-carboxamide?
The IUPAC name of N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-bromothiophene-2-carboxamide (CID 70234206) is N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-bromothiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-bromothiophene-2-carboxamide?
The canonical SMILES for N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-bromothiophene-2-carboxamide is Nc1ncccc1NCc1cccc(NC(=O)c2ccc(Br)s2)c1.
What is the InChIKey of N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-bromothiophene-2-carboxamide?
The InChIKey is ISXDZMSRXIPFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4OS/c18-15-7-6-14(24-15)17(23)22-12-4-1-3-11(9-12)10-21-13-5-2-8-20-16(13)19/h1-9,21H,10H2,(H2,19,20)(H,22,23).
What are the key properties of N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-bromothiophene-2-carboxamide?
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-bromothiophene-2-carboxamide has a molecular weight of 403.31 g/mol, XLogP of 4.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-bromothiophene-2-carboxamide is sourced from PubChem (CID 70234206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).