N-[4-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-fluorophenyl]acetamide

C17H15ClFN7O — CID 59548450

IUPACN-[4-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ncc(Cl)cc2-c2nc(C)nc(N)n2)cc1F
InChIInChI=1S/C17H15ClFN7O/c1-8-22-16(26-17(20)23-8)12-5-10(18)7-21-15(12)25-11-3-4-14(13(19)6-11)24-9(2)27/h3-7H,1-2H3,(H,21,25)(H,24,27)(H2,20,22,23,26)
InChIKeyONLUAEHRRPWDIA-UHFFFAOYSA-N
MW387.81 g/mol
LogP3.32
Rot. Bonds4

About N-[4-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-fluorophenyl]acetamide

N-[4-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-fluorophenyl]acetamide (PubChem CID 59548450) has the molecular formula C17H15ClFN7O and a molecular weight of 387.81 g/mol. Its IUPAC name is N-[4-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-fluorophenyl]acetamide
PubChem CID59548450
Molecular FormulaC17H15ClFN7O
Molecular Weight387.81 g/mol
Exact Mass387.10
IUPAC NameN-[4-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ncc(Cl)cc2-c2nc(C)nc(N)n2)cc1F
InChIInChI=1S/C17H15ClFN7O/c1-8-22-16(26-17(20)23-8)12-5-10(18)7-21-15(12)25-11-3-4-14(13(19)6-11)24-9(2)27/h3-7H,1-2H3,(H,21,25)(H,24,27)(H2,20,22,23,26)
InChIKeyONLUAEHRRPWDIA-UHFFFAOYSA-N
XLogP3.32
TPSA118.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.81
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-fluorophenyl]acetamide?
The IUPAC name of N-[4-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-fluorophenyl]acetamide (CID 59548450) is N-[4-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[4-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-fluorophenyl]acetamide is CC(=O)Nc1ccc(Nc2ncc(Cl)cc2-c2nc(C)nc(N)n2)cc1F.
What is the InChIKey of N-[4-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-fluorophenyl]acetamide?
The InChIKey is ONLUAEHRRPWDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN7O/c1-8-22-16(26-17(20)23-8)12-5-10(18)7-21-15(12)25-11-3-4-14(13(19)6-11)24-9(2)27/h3-7H,1-2H3,(H,21,25)(H,24,27)(H2,20,22,23,26).
What are the key properties of N-[4-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-fluorophenyl]acetamide?
N-[4-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-fluorophenyl]acetamide has a molecular weight of 387.81 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-fluorophenyl]acetamide is sourced from PubChem (CID 59548450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).