N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-chloro-3-[[2-(5-chloro-2-pyridinyl)-2,2-difluoroethyl]amino]-2-fluorophenyl]acetamide

C22H20Cl2F3N5O — CID 24779756

IUPACN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-chloro-3-[[2-(5-chloro-2-pyridinyl)-2,2-difluoroethyl]amino]-2-fluorophenyl]acetamide
SMILESCc1nc(N)ccc1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccc(Cl)cn2)c1F
InChIInChI=1S/C22H20Cl2F3N5O/c1-12-13(2-7-19(28)32-12)9-30-20(33)8-15-16(24)4-5-17(21(15)25)31-11-22(26,27)18-6-3-14(23)10-29-18/h2-7,10,31H,8-9,11H2,1H3,(H2,28,32)(H,30,33)
InChIKeyICIDKLQTWCPYFC-UHFFFAOYSA-N
MW498.34 g/mol
LogP4.88
Rot. Bonds8

About N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-chloro-3-[[2-(5-chloro-2-pyridinyl)-2,2-difluoroethyl]amino]-2-fluorophenyl]acetamide

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-chloro-3-[[2-(5-chloro-2-pyridinyl)-2,2-difluoroethyl]amino]-2-fluorophenyl]acetamide (PubChem CID 24779756) has the molecular formula C22H20Cl2F3N5O and a molecular weight of 498.34 g/mol. Its IUPAC name is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-chloro-3-[[2-(5-chloro-2-pyridinyl)-2,2-difluoroethyl]amino]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-chloro-3-[[2-(5-chloro-2-pyridinyl)-2,2-difluoroethyl]amino]-2-fluorophenyl]acetamide
PubChem CID24779756
Molecular FormulaC22H20Cl2F3N5O
Molecular Weight498.34 g/mol
Exact Mass497.10
IUPAC NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-chloro-3-[[2-(5-chloro-2-pyridinyl)-2,2-difluoroethyl]amino]-2-fluorophenyl]acetamide
SMILESCc1nc(N)ccc1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccc(Cl)cn2)c1F
InChIInChI=1S/C22H20Cl2F3N5O/c1-12-13(2-7-19(28)32-12)9-30-20(33)8-15-16(24)4-5-17(21(15)25)31-11-22(26,27)18-6-3-14(23)10-29-18/h2-7,10,31H,8-9,11H2,1H3,(H2,28,32)(H,30,33)
InChIKeyICIDKLQTWCPYFC-UHFFFAOYSA-N
XLogP4.88
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.34
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-chloro-3-[[2-(5-chloro-2-pyridinyl)-2,2-difluoroethyl]amino]-2-fluorophenyl]acetamide?
The IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-chloro-3-[[2-(5-chloro-2-pyridinyl)-2,2-difluoroethyl]amino]-2-fluorophenyl]acetamide (CID 24779756) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-chloro-3-[[2-(5-chloro-2-pyridinyl)-2,2-difluoroethyl]amino]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-chloro-3-[[2-(5-chloro-2-pyridinyl)-2,2-difluoroethyl]amino]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-chloro-3-[[2-(5-chloro-2-pyridinyl)-2,2-difluoroethyl]amino]-2-fluorophenyl]acetamide is Cc1nc(N)ccc1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccc(Cl)cn2)c1F.
What is the InChIKey of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-chloro-3-[[2-(5-chloro-2-pyridinyl)-2,2-difluoroethyl]amino]-2-fluorophenyl]acetamide?
The InChIKey is ICIDKLQTWCPYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2F3N5O/c1-12-13(2-7-19(28)32-12)9-30-20(33)8-15-16(24)4-5-17(21(15)25)31-11-22(26,27)18-6-3-14(23)10-29-18/h2-7,10,31H,8-9,11H2,1H3,(H2,28,32)(H,30,33).
What are the key properties of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-chloro-3-[[2-(5-chloro-2-pyridinyl)-2,2-difluoroethyl]amino]-2-fluorophenyl]acetamide?
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-chloro-3-[[2-(5-chloro-2-pyridinyl)-2,2-difluoroethyl]amino]-2-fluorophenyl]acetamide has a molecular weight of 498.34 g/mol, XLogP of 4.88, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-chloro-3-[[2-(5-chloro-2-pyridinyl)-2,2-difluoroethyl]amino]-2-fluorophenyl]acetamide is sourced from PubChem (CID 24779756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).