N-[2-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]acetamide

C20H16F2N4O2 — CID 5330821

IUPACN-[2-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1Nc1ccc(C(=O)c2c(F)cccc2F)c(N)n1
InChIInChI=1S/C20H16F2N4O2/c1-11(27)24-15-7-2-3-8-16(15)25-17-10-9-12(20(23)26-17)19(28)18-13(21)5-4-6-14(18)22/h2-10H,1H3,(H,24,27)(H3,23,25,26)
InChIKeyYGGYRUQXYWATOD-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.88
Rot. Bonds5

About N-[2-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]acetamide

N-[2-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]acetamide (PubChem CID 5330821) has the molecular formula C20H16F2N4O2 and a molecular weight of 382.37 g/mol. Its IUPAC name is N-[2-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]acetamide
PubChem CID5330821
Molecular FormulaC20H16F2N4O2
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC NameN-[2-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1Nc1ccc(C(=O)c2c(F)cccc2F)c(N)n1
InChIInChI=1S/C20H16F2N4O2/c1-11(27)24-15-7-2-3-8-16(15)25-17-10-9-12(20(23)26-17)19(28)18-13(21)5-4-6-14(18)22/h2-10H,1H3,(H,24,27)(H3,23,25,26)
InChIKeyYGGYRUQXYWATOD-UHFFFAOYSA-N
XLogP3.88
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Vx-702
CID 10341154
3-Acyl-2,6-diaminopyridine deriv. 2c
CID 5330817
3-Acyl-2,6-diaminopyridine deriv. 2l
CID 5330826
3-Acyl-2,6-diaminopyridine deriv. 2m
CID 5330827
3-Acyl-2,6-diaminopyridine deriv. 2o
CID 5330829
3-Acyl-2,6-diaminopyridine deriv. 2p
CID 5330830
3-Acyl-2,6-diaminopyridine deriv. 2r
CID 5330832
N-(6-benzamidopyridin-2-yl)benzamide
CID 1736518
3-Acyl-2,6-diaminopyridine deriv. 2b
CID 5330816
3-Acyl-2,6-diaminopyridine deriv. 2j
CID 5330824
3-Acyl-2,6-diaminopyridine deriv. 2k
CID 5330825
3-Acyl-2,6-diaminopyridine deriv. 2n
CID 5330828

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]acetamide?
The IUPAC name of N-[2-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]acetamide (CID 5330821) is N-[2-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[2-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]acetamide?
The canonical SMILES for N-[2-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]acetamide is CC(=O)Nc1ccccc1Nc1ccc(C(=O)c2c(F)cccc2F)c(N)n1.
What is the InChIKey of N-[2-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]acetamide?
The InChIKey is YGGYRUQXYWATOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2/c1-11(27)24-15-7-2-3-8-16(15)25-17-10-9-12(20(23)26-17)19(28)18-13(21)5-4-6-14(18)22/h2-10H,1H3,(H,24,27)(H3,23,25,26).
What are the key properties of N-[2-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]acetamide?
N-[2-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]acetamide has a molecular weight of 382.37 g/mol, XLogP of 3.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]acetamide is sourced from PubChem (CID 5330821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).