N-(2-amino-2-oxoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide

C22H21ClFN5O2 — CID 118211314

IUPACN-(2-amino-2-oxoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide
SMILESCC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)NCC(N)=O
InChIInChI=1S/C22H21ClFN5O2/c1-12(2)15-10-27-19(14-7-13(23)3-4-17(14)24)8-20(15)29-18-5-6-26-9-16(18)22(31)28-11-21(25)30/h3-10,12H,11H2,1-2H3,(H2,25,30)(H,28,31)(H,26,27,29)
InChIKeyYJKNBYBEJYUUHW-UHFFFAOYSA-N
MW441.89 g/mol
LogP4.02
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide

N-(2-amino-2-oxoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide (PubChem CID 118211314) has the molecular formula C22H21ClFN5O2 and a molecular weight of 441.89 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide
PubChem CID118211314
Molecular FormulaC22H21ClFN5O2
Molecular Weight441.89 g/mol
Exact Mass441.14
IUPAC NameN-(2-amino-2-oxoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide
SMILESCC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)NCC(N)=O
InChIInChI=1S/C22H21ClFN5O2/c1-12(2)15-10-27-19(14-7-13(23)3-4-17(14)24)8-20(15)29-18-5-6-26-9-16(18)22(31)28-11-21(25)30/h3-10,12H,11H2,1-2H3,(H2,25,30)(H,28,31)(H,26,27,29)
InChIKeyYJKNBYBEJYUUHW-UHFFFAOYSA-N
XLogP4.02
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.89
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide (CID 118211314) is N-(2-amino-2-oxoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide is CC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)NCC(N)=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide?
The InChIKey is YJKNBYBEJYUUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN5O2/c1-12(2)15-10-27-19(14-7-13(23)3-4-17(14)24)8-20(15)29-18-5-6-26-9-16(18)22(31)28-11-21(25)30/h3-10,12H,11H2,1-2H3,(H2,25,30)(H,28,31)(H,26,27,29).
What are the key properties of N-(2-amino-2-oxoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide?
N-(2-amino-2-oxoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide has a molecular weight of 441.89 g/mol, XLogP of 4.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 118211314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).