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

C25H18F2N4O2 — CID 5330822

IUPACN-[2-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]benzamide
SMILESNc1nc(Nc2ccccc2NC(=O)c2ccccc2)ccc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C25H18F2N4O2/c26-17-9-6-10-18(27)22(17)23(32)16-13-14-21(31-24(16)28)29-19-11-4-5-12-20(19)30-25(33)15-7-2-1-3-8-15/h1-14H,(H,30,33)(H3,28,29,31)
InChIKeyPKISURMVDQRZBN-UHFFFAOYSA-N
MW444.44 g/mol
LogP5.17
Rot. Bonds6

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

N-[2-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]benzamide (PubChem CID 5330822) has the molecular formula C25H18F2N4O2 and a molecular weight of 444.44 g/mol. Its IUPAC name is N-[2-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]benzamide
PubChem CID5330822
Molecular FormulaC25H18F2N4O2
Molecular Weight444.44 g/mol
Exact Mass444.14
IUPAC NameN-[2-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]benzamide
SMILESNc1nc(Nc2ccccc2NC(=O)c2ccccc2)ccc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C25H18F2N4O2/c26-17-9-6-10-18(27)22(17)23(32)16-13-14-21(31-24(16)28)29-19-11-4-5-12-20(19)30-25(33)15-7-2-1-3-8-15/h1-14H,(H,30,33)(H3,28,29,31)
InChIKeyPKISURMVDQRZBN-UHFFFAOYSA-N
XLogP5.17
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.44
LogP ≤ 55.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]benzamide with MolForge

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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. 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
N-(2-aminophenyl)-6-(3,3-dimethyl-4-(3-phenylpropanoyl)piperazin-1-yl)nicotinamide
CID 16662757
N-(2-aminophenyl)-4-[[(6-fluoro-2-pyridinyl)amino]methyl]benzamide
CID 20786113
4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-phenyl-2-pyridinyl)amino]benzamide
CID 71522956

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]benzamide?
The IUPAC name of N-[2-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]benzamide (CID 5330822) is N-[2-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[2-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]benzamide?
The canonical SMILES for N-[2-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]benzamide is Nc1nc(Nc2ccccc2NC(=O)c2ccccc2)ccc1C(=O)c1c(F)cccc1F.
What is the InChIKey of N-[2-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]benzamide?
The InChIKey is PKISURMVDQRZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N4O2/c26-17-9-6-10-18(27)22(17)23(32)16-13-14-21(31-24(16)28)29-19-11-4-5-12-20(19)30-25(33)15-7-2-1-3-8-15/h1-14H,(H,30,33)(H3,28,29,31).
What are the key properties of N-[2-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]benzamide?
N-[2-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]benzamide has a molecular weight of 444.44 g/mol, XLogP of 5.17, 6 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]benzamide is sourced from PubChem (CID 5330822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).