[2-amino-6-[4-(methylamino)anilino]-3-pyridinyl]-(2,6-difluorophenyl)methanone

C19H16F2N4O — CID 5330828

IUPAC[2-amino-6-[4-(methylamino)anilino]-3-pyridinyl]-(2,6-difluorophenyl)methanone
SMILESCNc1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1
InChIInChI=1S/C19H16F2N4O/c1-23-11-5-7-12(8-6-11)24-16-10-9-13(19(22)25-16)18(26)17-14(20)3-2-4-15(17)21/h2-10,23H,1H3,(H3,22,24,25)
InChIKeyIZPPYCMVKYUPEG-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.96
Rot. Bonds5

About [2-amino-6-[4-(methylamino)anilino]-3-pyridinyl]-(2,6-difluorophenyl)methanone

[2-amino-6-[4-(methylamino)anilino]-3-pyridinyl]-(2,6-difluorophenyl)methanone (PubChem CID 5330828) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is [2-amino-6-[4-(methylamino)anilino]-3-pyridinyl]-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name[2-amino-6-[4-(methylamino)anilino]-3-pyridinyl]-(2,6-difluorophenyl)methanone
PubChem CID5330828
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC Name[2-amino-6-[4-(methylamino)anilino]-3-pyridinyl]-(2,6-difluorophenyl)methanone
SMILESCNc1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1
InChIInChI=1S/C19H16F2N4O/c1-23-11-5-7-12(8-6-11)24-16-10-9-13(19(22)25-16)18(26)17-14(20)3-2-4-15(17)21/h2-10,23H,1H3,(H3,22,24,25)
InChIKeyIZPPYCMVKYUPEG-UHFFFAOYSA-N
XLogP3.96
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Vx-702
CID 10341154
7-Dimethylamino-2-phenyl-[1,8]naphthyridin-4-ol
CID 10378184
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
[4-Amino-2-[4-(4-methylpiperazin-1-yl)phenylamino]pyrimidin-5-yl](3-fluorophenyl)methanone
CID 11975201
1,2-Diphenyl-2-(pyridin-2-ylamino)ethanone
CID 31559
N-phenyl-2-[(2-phenylethyl)amino]nicotinamide
CID 714469
3-Acyl-2,6-diaminopyridine deriv. 2b
CID 5330816

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-[4-(methylamino)anilino]-3-pyridinyl]-(2,6-difluorophenyl)methanone?
The IUPAC name of [2-amino-6-[4-(methylamino)anilino]-3-pyridinyl]-(2,6-difluorophenyl)methanone (CID 5330828) is [2-amino-6-[4-(methylamino)anilino]-3-pyridinyl]-(2,6-difluorophenyl)methanone.
What is the SMILES notation for [2-amino-6-[4-(methylamino)anilino]-3-pyridinyl]-(2,6-difluorophenyl)methanone?
The canonical SMILES for [2-amino-6-[4-(methylamino)anilino]-3-pyridinyl]-(2,6-difluorophenyl)methanone is CNc1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1.
What is the InChIKey of [2-amino-6-[4-(methylamino)anilino]-3-pyridinyl]-(2,6-difluorophenyl)methanone?
The InChIKey is IZPPYCMVKYUPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c1-23-11-5-7-12(8-6-11)24-16-10-9-13(19(22)25-16)18(26)17-14(20)3-2-4-15(17)21/h2-10,23H,1H3,(H3,22,24,25).
What are the key properties of [2-amino-6-[4-(methylamino)anilino]-3-pyridinyl]-(2,6-difluorophenyl)methanone?
[2-amino-6-[4-(methylamino)anilino]-3-pyridinyl]-(2,6-difluorophenyl)methanone has a molecular weight of 354.36 g/mol, XLogP of 3.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-[4-(methylamino)anilino]-3-pyridinyl]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 5330828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).