2-[(5-pyridin-4-ylpyrimidin-4-yl)methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile

C18H10F6N6 — CID 154672755

IUPAC2-[(5-pyridin-4-ylpyrimidin-4-yl)methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(C(F)(F)F)nc1NCc1ncncc1-c1ccncc1
InChIInChI=1S/C18H10F6N6/c19-17(20,21)13-5-15(18(22,23)24)30-16(11(13)6-25)28-8-14-12(7-27-9-29-14)10-1-3-26-4-2-10/h1-5,7,9H,8H2,(H,28,30)
InChIKeyAGNAZYNUUWDAKO-UHFFFAOYSA-N
MW424.31 g/mol
LogP4.45
Rot. Bonds4

About 2-[(5-pyridin-4-ylpyrimidin-4-yl)methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile

2-[(5-pyridin-4-ylpyrimidin-4-yl)methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 154672755) has the molecular formula C18H10F6N6 and a molecular weight of 424.31 g/mol. Its IUPAC name is 2-[(5-pyridin-4-ylpyrimidin-4-yl)methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(5-pyridin-4-ylpyrimidin-4-yl)methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID154672755
Molecular FormulaC18H10F6N6
Molecular Weight424.31 g/mol
Exact Mass424.09
IUPAC Name2-[(5-pyridin-4-ylpyrimidin-4-yl)methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(C(F)(F)F)nc1NCc1ncncc1-c1ccncc1
InChIInChI=1S/C18H10F6N6/c19-17(20,21)13-5-15(18(22,23)24)30-16(11(13)6-25)28-8-14-12(7-27-9-29-14)10-1-3-26-4-2-10/h1-5,7,9H,8H2,(H,28,30)
InChIKeyAGNAZYNUUWDAKO-UHFFFAOYSA-N
XLogP4.45
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.31
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-(4-bromophenyl)-2-pyridinyl]methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile
CID 154672801
2-[[3-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile
CID 154672803
2-[2-[1-(4-fluorophenyl)imidazol-2-yl]ethylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile
CID 155026513
2-(pyridin-4-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 71503682
2-chloro-6-pyridin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 87895153
N-(1,3-benzothiazol-2-yl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetamide
CID 169107325
2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methyl-N-quinazolin-6-ylacetamide
CID 165108690
N'-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-4-carbohydrazide
CID 10567756
2-[[3-cyano-6-pyridin-4-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(4-methyl-1,3-oxazol-2-yl)acetamide
CID 652747
4,6-dimethyl-2-[(3-methyl-2-pyridinyl)methylamino]pyridine-3-carbonitrile
CID 63306269
2-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 10806286
N-methyl-5-pyridin-4-ylpyrimidin-4-amine
CID 83697189

Frequently Asked Questions

What is the IUPAC name of 2-[(5-pyridin-4-ylpyrimidin-4-yl)methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[(5-pyridin-4-ylpyrimidin-4-yl)methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile (CID 154672755) is 2-[(5-pyridin-4-ylpyrimidin-4-yl)methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(5-pyridin-4-ylpyrimidin-4-yl)methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[(5-pyridin-4-ylpyrimidin-4-yl)methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(C(F)(F)F)nc1NCc1ncncc1-c1ccncc1.
What is the InChIKey of 2-[(5-pyridin-4-ylpyrimidin-4-yl)methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is AGNAZYNUUWDAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F6N6/c19-17(20,21)13-5-15(18(22,23)24)30-16(11(13)6-25)28-8-14-12(7-27-9-29-14)10-1-3-26-4-2-10/h1-5,7,9H,8H2,(H,28,30).
What are the key properties of 2-[(5-pyridin-4-ylpyrimidin-4-yl)methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile?
2-[(5-pyridin-4-ylpyrimidin-4-yl)methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 424.31 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-pyridin-4-ylpyrimidin-4-yl)methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 154672755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).