N-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide

C22H21F3N4O3 — CID 170701098

IUPACN-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
SMILESCn1ccc(-c2cc(C(=O)N[C@@H](CO)C3CC3)cnc2Oc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C22H21F3N4O3/c1-29-9-8-18(28-29)17-10-14(20(31)27-19(12-30)13-2-3-13)11-26-21(17)32-16-6-4-15(5-7-16)22(23,24)25/h4-11,13,19,30H,2-3,12H2,1H3,(H,27,31)/t19-/m0/s1
InChIKeyHRBPKIJNIIPJBS-IBGZPJMESA-N
MW446.43 g/mol
LogP3.79
Rot. Bonds7

About N-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide

N-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide (PubChem CID 170701098) has the molecular formula C22H21F3N4O3 and a molecular weight of 446.43 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
PubChem CID170701098
Molecular FormulaC22H21F3N4O3
Molecular Weight446.43 g/mol
Exact Mass446.16
IUPAC NameN-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
SMILESCn1ccc(-c2cc(C(=O)N[C@@H](CO)C3CC3)cnc2Oc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C22H21F3N4O3/c1-29-9-8-18(28-29)17-10-14(20(31)27-19(12-30)13-2-3-13)11-26-21(17)32-16-6-4-15(5-7-16)22(23,24)25/h4-11,13,19,30H,2-3,12H2,1H3,(H,27,31)/t19-/m0/s1
InChIKeyHRBPKIJNIIPJBS-IBGZPJMESA-N
XLogP3.79
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide (CID 170701098) is N-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide is Cn1ccc(-c2cc(C(=O)N[C@@H](CO)C3CC3)cnc2Oc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
The InChIKey is HRBPKIJNIIPJBS-IBGZPJMESA-N. The full InChI is InChI=1S/C22H21F3N4O3/c1-29-9-8-18(28-29)17-10-14(20(31)27-19(12-30)13-2-3-13)11-26-21(17)32-16-6-4-15(5-7-16)22(23,24)25/h4-11,13,19,30H,2-3,12H2,1H3,(H,27,31)/t19-/m0/s1.
What are the key properties of N-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
N-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide has a molecular weight of 446.43 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 170701098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).