N-[4-(1-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide

C19H16F3N5O2 — CID 118064331

IUPACN-[4-(1-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
SMILESCC(O)c1ccncc1NC(=O)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C19H16F3N5O2/c1-11(28)14-5-6-23-10-15(14)26-18(29)12-4-7-24-17(8-12)27-16-3-2-13(9-25-16)19(20,21)22/h2-11,28H,1H3,(H,26,29)(H,24,25,27)
InChIKeyUTJUUHAQCHUSKZ-UHFFFAOYSA-N
MW403.36 g/mol
LogP3.94
Rot. Bonds5

About N-[4-(1-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide

N-[4-(1-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide (PubChem CID 118064331) has the molecular formula C19H16F3N5O2 and a molecular weight of 403.36 g/mol. Its IUPAC name is N-[4-(1-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
PubChem CID118064331
Molecular FormulaC19H16F3N5O2
Molecular Weight403.36 g/mol
Exact Mass403.13
IUPAC NameN-[4-(1-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
SMILESCC(O)c1ccncc1NC(=O)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C19H16F3N5O2/c1-11(28)14-5-6-23-10-15(14)26-18(29)12-4-7-24-17(8-12)27-16-3-2-13(9-25-16)19(20,21)22/h2-11,28H,1H3,(H,26,29)(H,24,25,27)
InChIKeyUTJUUHAQCHUSKZ-UHFFFAOYSA-N
XLogP3.94
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The IUPAC name of N-[4-(1-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide (CID 118064331) is N-[4-(1-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(1-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(1-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide is CC(O)c1ccncc1NC(=O)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of N-[4-(1-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The InChIKey is UTJUUHAQCHUSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O2/c1-11(28)14-5-6-23-10-15(14)26-18(29)12-4-7-24-17(8-12)27-16-3-2-13(9-25-16)19(20,21)22/h2-11,28H,1H3,(H,26,29)(H,24,25,27).
What are the key properties of N-[4-(1-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
N-[4-(1-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide has a molecular weight of 403.36 g/mol, XLogP of 3.94, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide is sourced from PubChem (CID 118064331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).