N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-5-(trifluoromethyl)pyridine-2-carboxamide

C19H16F3N5O2 — CID 57385112

IUPACN-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC1=NC2(CCOc3ccc(NC(=O)c4ccc(C(F)(F)F)cn4)cc32)N=C1N
InChIInChI=1S/C19H16F3N5O2/c1-10-16(23)27-18(26-10)6-7-29-15-5-3-12(8-13(15)18)25-17(28)14-4-2-11(9-24-14)19(20,21)22/h2-5,8-9H,6-7H2,1H3,(H2,23,27)(H,25,28)
InChIKeyQPZBTQGENRPMSI-UHFFFAOYSA-N
MW403.36 g/mol
LogP3.12
Rot. Bonds2

About N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-5-(trifluoromethyl)pyridine-2-carboxamide

N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 57385112) has the molecular formula C19H16F3N5O2 and a molecular weight of 403.36 g/mol. Its IUPAC name is N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID57385112
Molecular FormulaC19H16F3N5O2
Molecular Weight403.36 g/mol
Exact Mass403.13
IUPAC NameN-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC1=NC2(CCOc3ccc(NC(=O)c4ccc(C(F)(F)F)cn4)cc32)N=C1N
InChIInChI=1S/C19H16F3N5O2/c1-10-16(23)27-18(26-10)6-7-29-15-5-3-12(8-13(15)18)25-17(28)14-4-2-11(9-24-14)19(20,21)22/h2-5,8-9H,6-7H2,1H3,(H2,23,27)(H,25,28)
InChIKeyQPZBTQGENRPMSI-UHFFFAOYSA-N
XLogP3.12
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-5-(trifluoromethyl)pyridine-2-carboxamide (CID 57385112) is N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-5-(trifluoromethyl)pyridine-2-carboxamide is CC1=NC2(CCOc3ccc(NC(=O)c4ccc(C(F)(F)F)cn4)cc32)N=C1N.
What is the InChIKey of N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is QPZBTQGENRPMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O2/c1-10-16(23)27-18(26-10)6-7-29-15-5-3-12(8-13(15)18)25-17(28)14-4-2-11(9-24-14)19(20,21)22/h2-5,8-9H,6-7H2,1H3,(H2,23,27)(H,25,28).
What are the key properties of N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-5-(trifluoromethyl)pyridine-2-carboxamide?
N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 403.36 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 57385112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).