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

C18H16ClN5O2 — CID 57385111

IUPACN-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-5-chloropyridine-2-carboxamide
SMILESCC1=NC2(CCOc3ccc(NC(=O)c4ccc(Cl)cn4)cc32)N=C1N
InChIInChI=1S/C18H16ClN5O2/c1-10-16(20)24-18(23-10)6-7-26-15-5-3-12(8-13(15)18)22-17(25)14-4-2-11(19)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,24)(H,22,25)
InChIKeyORODGGDDUAZWGL-UHFFFAOYSA-N
MW369.81 g/mol
LogP2.75
Rot. Bonds2

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

N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-5-chloropyridine-2-carboxamide (PubChem CID 57385111) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-5-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-5-chloropyridine-2-carboxamide
PubChem CID57385111
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC NameN-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-5-chloropyridine-2-carboxamide
SMILESCC1=NC2(CCOc3ccc(NC(=O)c4ccc(Cl)cn4)cc32)N=C1N
InChIInChI=1S/C18H16ClN5O2/c1-10-16(20)24-18(23-10)6-7-26-15-5-3-12(8-13(15)18)22-17(25)14-4-2-11(19)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,24)(H,22,25)
InChIKeyORODGGDDUAZWGL-UHFFFAOYSA-N
XLogP2.75
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 52.75
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-chloropyridine-2-carboxamide?
The IUPAC name of N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-5-chloropyridine-2-carboxamide (CID 57385111) is N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-5-chloropyridine-2-carboxamide.
What is the SMILES notation for N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-5-chloropyridine-2-carboxamide?
The canonical SMILES for N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-5-chloropyridine-2-carboxamide is CC1=NC2(CCOc3ccc(NC(=O)c4ccc(Cl)cn4)cc32)N=C1N.
What is the InChIKey of N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-5-chloropyridine-2-carboxamide?
The InChIKey is ORODGGDDUAZWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c1-10-16(20)24-18(23-10)6-7-26-15-5-3-12(8-13(15)18)22-17(25)14-4-2-11(19)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,24)(H,22,25).
What are the key properties of N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-5-chloropyridine-2-carboxamide?
N-(4'-amino-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-6-yl)-5-chloropyridine-2-carboxamide has a molecular weight of 369.81 g/mol, XLogP of 2.75, 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-chloropyridine-2-carboxamide is sourced from PubChem (CID 57385111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).