N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide

C24H23N5O2 — CID 23961115

IUPACN-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
SMILESN#Cc1ccc(C(=O)N(CCCN)Cc2cccc(NC(=O)c3cccnc3)c2)cc1
InChIInChI=1S/C24H23N5O2/c25-11-3-13-29(24(31)20-9-7-18(15-26)8-10-20)17-19-4-1-6-22(14-19)28-23(30)21-5-2-12-27-16-21/h1-2,4-10,12,14,16H,3,11,13,17,25H2,(H,28,30)
InChIKeyTZYDFSBXIODABW-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.20
Rot. Bonds8

About N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide

N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 23961115) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
PubChem CID23961115
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
SMILESN#Cc1ccc(C(=O)N(CCCN)Cc2cccc(NC(=O)c3cccnc3)c2)cc1
InChIInChI=1S/C24H23N5O2/c25-11-3-13-29(24(31)20-9-7-18(15-26)8-10-20)17-19-4-1-6-22(14-19)28-23(30)21-5-2-12-27-16-21/h1-2,4-10,12,14,16H,3,11,13,17,25H2,(H,28,30)
InChIKeyTZYDFSBXIODABW-UHFFFAOYSA-N
XLogP3.20
TPSA112.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminopropyl)-N-[[3-[(4-cyanobenzoyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide
CID 23766917
N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-4-tert-butylbenzamide
CID 23798992
N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-3-fluorobenzamide
CID 23824934
N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]-4-chlorophenyl]-3,5-difluorobenzamide
CID 23828376
N-[(5-acetamido-2-chlorophenyl)methyl]-N-(3-aminopropyl)-4-cyanobenzamide
CID 23910539
N-[3-[benzyl(methyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 26162903
N-[3-[butyl(2-hydroxyethyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 78862411
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43397555
N-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide
CID 23995243
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
N-[3-[(2-cyanoacetyl)amino]phenyl]pyridine-3-carboxamide
CID 108922649
N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide (CID 23961115) is N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide is N#Cc1ccc(C(=O)N(CCCN)Cc2cccc(NC(=O)c3cccnc3)c2)cc1.
What is the InChIKey of N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is TZYDFSBXIODABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c25-11-3-13-29(24(31)20-9-7-18(15-26)8-10-20)17-19-4-1-6-22(14-19)28-23(30)21-5-2-12-27-16-21/h1-2,4-10,12,14,16H,3,11,13,17,25H2,(H,28,30).
What are the key properties of N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide?
N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 23961115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).