N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide

C22H24FN5O3 — CID 92635730

IUPACN-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
SMILESCc1c([C@H](C)NC(=O)c2ccc(=O)n(CC(=O)NCc3ccc(F)cc3)c2)cnn1C
InChIInChI=1S/C22H24FN5O3/c1-14(19-11-25-27(3)15(19)2)26-22(31)17-6-9-21(30)28(12-17)13-20(29)24-10-16-4-7-18(23)8-5-16/h4-9,11-12,14H,10,13H2,1-3H3,(H,24,29)(H,26,31)/t14-/m0/s1
InChIKeyJMRNCJDPZUUUIF-AWEZNQCLSA-N
MW425.46 g/mol
LogP1.84
Rot. Bonds7

About N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide

N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide (PubChem CID 92635730) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
PubChem CID92635730
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC NameN-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
SMILESCc1c([C@H](C)NC(=O)c2ccc(=O)n(CC(=O)NCc3ccc(F)cc3)c2)cnn1C
InChIInChI=1S/C22H24FN5O3/c1-14(19-11-25-27(3)15(19)2)26-22(31)17-6-9-21(30)28(12-17)13-20(29)24-10-16-4-7-18(23)8-5-16/h4-9,11-12,14H,10,13H2,1-3H3,(H,24,29)(H,26,31)/t14-/m0/s1
InChIKeyJMRNCJDPZUUUIF-AWEZNQCLSA-N
XLogP1.84
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide (CID 92635730) is N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide is Cc1c([C@H](C)NC(=O)c2ccc(=O)n(CC(=O)NCc3ccc(F)cc3)c2)cnn1C.
What is the InChIKey of N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?
The InChIKey is JMRNCJDPZUUUIF-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-14(19-11-25-27(3)15(19)2)26-22(31)17-6-9-21(30)28(12-17)13-20(29)24-10-16-4-7-18(23)8-5-16/h4-9,11-12,14H,10,13H2,1-3H3,(H,24,29)(H,26,31)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide has a molecular weight of 425.46 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 92635730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).