2-(cyclopropanecarbonylamino)-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]pyridine-4-carboxamide

C17H15F3N4O3 — CID 118065519

IUPAC2-(cyclopropanecarbonylamino)-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]pyridine-4-carboxamide
SMILESO=C(Nc1cnccc1C(O)C(F)(F)F)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C17H15F3N4O3/c18-17(19,20)14(25)11-4-5-21-8-12(11)23-16(27)10-3-6-22-13(7-10)24-15(26)9-1-2-9/h3-9,14,25H,1-2H2,(H,23,27)(H,22,24,26)
InChIKeyWNHWUUHIAMMLPH-UHFFFAOYSA-N
MW380.33 g/mol
LogP2.67
Rot. Bonds5

About 2-(cyclopropanecarbonylamino)-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]pyridine-4-carboxamide

2-(cyclopropanecarbonylamino)-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 118065519) has the molecular formula C17H15F3N4O3 and a molecular weight of 380.33 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]pyridine-4-carboxamide
PubChem CID118065519
Molecular FormulaC17H15F3N4O3
Molecular Weight380.33 g/mol
Exact Mass380.11
IUPAC Name2-(cyclopropanecarbonylamino)-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]pyridine-4-carboxamide
SMILESO=C(Nc1cnccc1C(O)C(F)(F)F)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C17H15F3N4O3/c18-17(19,20)14(25)11-4-5-21-8-12(11)23-16(27)10-3-6-22-13(7-10)24-15(26)9-1-2-9/h3-9,14,25H,1-2H2,(H,23,27)(H,22,24,26)
InChIKeyWNHWUUHIAMMLPH-UHFFFAOYSA-N
XLogP2.67
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]pyridine-4-carboxamide (CID 118065519) is 2-(cyclopropanecarbonylamino)-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]pyridine-4-carboxamide is O=C(Nc1cnccc1C(O)C(F)(F)F)c1ccnc(NC(=O)C2CC2)c1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is WNHWUUHIAMMLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O3/c18-17(19,20)14(25)11-4-5-21-8-12(11)23-16(27)10-3-6-22-13(7-10)24-15(26)9-1-2-9/h3-9,14,25H,1-2H2,(H,23,27)(H,22,24,26).
What are the key properties of 2-(cyclopropanecarbonylamino)-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]pyridine-4-carboxamide?
2-(cyclopropanecarbonylamino)-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 380.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 118065519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).