N-[4-(2-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide

C19H16F3N5O2 — CID 118064333

IUPACN-[4-(2-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
SMILESO=C(Nc1cnccc1CCO)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C19H16F3N5O2/c20-19(21,22)14-1-2-16(25-10-14)27-17-9-13(4-7-24-17)18(29)26-15-11-23-6-3-12(15)5-8-28/h1-4,6-7,9-11,28H,5,8H2,(H,26,29)(H,24,25,27)
InChIKeyPBVLKGNZUUUHIB-UHFFFAOYSA-N
MW403.36 g/mol
LogP3.42
Rot. Bonds6

About N-[4-(2-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide

N-[4-(2-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide (PubChem CID 118064333) has the molecular formula C19H16F3N5O2 and a molecular weight of 403.36 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
PubChem CID118064333
Molecular FormulaC19H16F3N5O2
Molecular Weight403.36 g/mol
Exact Mass403.13
IUPAC NameN-[4-(2-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
SMILESO=C(Nc1cnccc1CCO)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C19H16F3N5O2/c20-19(21,22)14-1-2-16(25-10-14)27-17-9-13(4-7-24-17)18(29)26-15-11-23-6-3-12(15)5-8-28/h1-4,6-7,9-11,28H,5,8H2,(H,26,29)(H,24,25,27)
InChIKeyPBVLKGNZUUUHIB-UHFFFAOYSA-N
XLogP3.42
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The IUPAC name of N-[4-(2-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide (CID 118064333) is N-[4-(2-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide is O=C(Nc1cnccc1CCO)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of N-[4-(2-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The InChIKey is PBVLKGNZUUUHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O2/c20-19(21,22)14-1-2-16(25-10-14)27-17-9-13(4-7-24-17)18(29)26-15-11-23-6-3-12(15)5-8-28/h1-4,6-7,9-11,28H,5,8H2,(H,26,29)(H,24,25,27).
What are the key properties of N-[4-(2-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
N-[4-(2-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide has a molecular weight of 403.36 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide is sourced from PubChem (CID 118064333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).