N-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]-4-chlorophenyl]pyridine-4-carboxamide

C23H21ClF2N4O2 — CID 23960814

IUPACN-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]-4-chlorophenyl]pyridine-4-carboxamide
SMILESNCCCN(Cc1cc(NC(=O)c2ccncc2)ccc1Cl)C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C23H21ClF2N4O2/c24-21-3-2-20(29-22(31)15-4-7-28-8-5-15)12-17(21)14-30(9-1-6-27)23(32)16-10-18(25)13-19(26)11-16/h2-5,7-8,10-13H,1,6,9,14,27H2,(H,29,31)
InChIKeyHYNYQYZEUZBVKL-UHFFFAOYSA-N
MW458.90 g/mol
LogP4.26
Rot. Bonds8

About N-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]-4-chlorophenyl]pyridine-4-carboxamide

N-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]-4-chlorophenyl]pyridine-4-carboxamide (PubChem CID 23960814) has the molecular formula C23H21ClF2N4O2 and a molecular weight of 458.90 g/mol. Its IUPAC name is N-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]-4-chlorophenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]-4-chlorophenyl]pyridine-4-carboxamide
PubChem CID23960814
Molecular FormulaC23H21ClF2N4O2
Molecular Weight458.90 g/mol
Exact Mass458.13
IUPAC NameN-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]-4-chlorophenyl]pyridine-4-carboxamide
SMILESNCCCN(Cc1cc(NC(=O)c2ccncc2)ccc1Cl)C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C23H21ClF2N4O2/c24-21-3-2-20(29-22(31)15-4-7-28-8-5-15)12-17(21)14-30(9-1-6-27)23(32)16-10-18(25)13-19(26)11-16/h2-5,7-8,10-13H,1,6,9,14,27H2,(H,29,31)
InChIKeyHYNYQYZEUZBVKL-UHFFFAOYSA-N
XLogP4.26
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.90
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]-4-chlorophenyl]-3,5-difluorobenzamide
CID 23828376
N-[3-[[3-aminopropyl-(3-fluorobenzoyl)amino]methyl]-4-chlorophenyl]-3,4-dimethoxybenzamide
CID 23913299
N-(4-chloro-3-fluorophenyl)pyridine-4-carboxamide
CID 47228006
N-[(5-acetamido-2-chlorophenyl)methyl]-N-(3-aminopropyl)-4-cyanobenzamide
CID 23910539
N-[3-[[3-aminopropyl-(3,4-dimethoxybenzoyl)amino]methyl]-4-chlorophenyl]thiophene-2-carboxamide
CID 23905734
N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pyridine-4-carboxamide
CID 39193137
N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-3-fluorobenzamide
CID 23824934
N-(3-amino-2,2-dimethylpropyl)-N-[[5-[(4-tert-butylbenzoyl)amino]-2-chlorophenyl]methyl]-3-fluorobenzamide
CID 23883500
N-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide
CID 23995243
N-(3-aminopropyl)-3-fluoro-N-[[4-[(4-nitrobenzoyl)amino]phenyl]methyl]benzamide
CID 23828380
N-(3-aminopropyl)-N-[[2-chloro-5-[(2-phenoxyacetyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide
CID 23799866
N-(3-fluoro-4-hydroxyphenyl)pyridine-4-carboxamide
CID 64780099

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]-4-chlorophenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]-4-chlorophenyl]pyridine-4-carboxamide (CID 23960814) is N-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]-4-chlorophenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]-4-chlorophenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]-4-chlorophenyl]pyridine-4-carboxamide is NCCCN(Cc1cc(NC(=O)c2ccncc2)ccc1Cl)C(=O)c1cc(F)cc(F)c1.
What is the InChIKey of N-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]-4-chlorophenyl]pyridine-4-carboxamide?
The InChIKey is HYNYQYZEUZBVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF2N4O2/c24-21-3-2-20(29-22(31)15-4-7-28-8-5-15)12-17(21)14-30(9-1-6-27)23(32)16-10-18(25)13-19(26)11-16/h2-5,7-8,10-13H,1,6,9,14,27H2,(H,29,31).
What are the key properties of N-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]-4-chlorophenyl]pyridine-4-carboxamide?
N-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]-4-chlorophenyl]pyridine-4-carboxamide has a molecular weight of 458.90 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]-4-chlorophenyl]pyridine-4-carboxamide is sourced from PubChem (CID 23960814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).