N-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-chloropyridine-2-carboxamide

C25H22ClN5O2 — CID 24610565

IUPACN-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-chloropyridine-2-carboxamide
SMILESO=C(CNC(=O)c1cc(Cl)ccn1)NCc1cn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H22ClN5O2/c26-21-11-12-27-22(13-21)25(33)29-15-23(32)28-14-20-17-31(16-18-7-3-1-4-8-18)30-24(20)19-9-5-2-6-10-19/h1-13,17H,14-16H2,(H,28,32)(H,29,33)
InChIKeyYTLNUOHCMGRMNL-UHFFFAOYSA-N
MW459.94 g/mol
LogP3.69
Rot. Bonds8

About N-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-chloropyridine-2-carboxamide

N-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-chloropyridine-2-carboxamide (PubChem CID 24610565) has the molecular formula C25H22ClN5O2 and a molecular weight of 459.94 g/mol. Its IUPAC name is N-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-chloropyridine-2-carboxamide
PubChem CID24610565
Molecular FormulaC25H22ClN5O2
Molecular Weight459.94 g/mol
Exact Mass459.15
IUPAC NameN-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-chloropyridine-2-carboxamide
SMILESO=C(CNC(=O)c1cc(Cl)ccn1)NCc1cn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H22ClN5O2/c26-21-11-12-27-22(13-21)25(33)29-15-23(32)28-14-20-17-31(16-18-7-3-1-4-8-18)30-24(20)19-9-5-2-6-10-19/h1-13,17H,14-16H2,(H,28,32)(H,29,33)
InChIKeyYTLNUOHCMGRMNL-UHFFFAOYSA-N
XLogP3.69
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.94
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 24617701
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 26117299
4-chloro-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide
CID 9268867
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4-chloro-2-nitrobenzamide
CID 46508773
4-chloro-N-[2-oxo-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]pyridine-2-carboxamide
CID 9143516
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 24610550
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide
CID 17454174
4-chloro-N-[2-oxo-2-(phenylmethoxyamino)ethyl]pyridine-2-carboxamide
CID 9227627
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-chloro-6-fluorobenzamide
CID 46553209
4-acetyl-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 24616530
1-benzyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 9301580
(2R)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxypropanamide
CID 51966415

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-chloropyridine-2-carboxamide?
The IUPAC name of N-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-chloropyridine-2-carboxamide (CID 24610565) is N-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-chloropyridine-2-carboxamide?
The canonical SMILES for N-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-chloropyridine-2-carboxamide is O=C(CNC(=O)c1cc(Cl)ccn1)NCc1cn(Cc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-chloropyridine-2-carboxamide?
The InChIKey is YTLNUOHCMGRMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O2/c26-21-11-12-27-22(13-21)25(33)29-15-23(32)28-14-20-17-31(16-18-7-3-1-4-8-18)30-24(20)19-9-5-2-6-10-19/h1-13,17H,14-16H2,(H,28,32)(H,29,33).
What are the key properties of N-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-chloropyridine-2-carboxamide?
N-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-chloropyridine-2-carboxamide has a molecular weight of 459.94 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-chloropyridine-2-carboxamide is sourced from PubChem (CID 24610565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).